NYP

N-[(E)-METHYL](PHENYL)-N-[(E)-2-PROPENYLIDENE]METHANAMINIUM

Created:	2001-10-26
Last modified:	2011-06-04

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1 entries where NYP is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	1
Atom Count	30
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	0

2D diagram of NYP

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Chemical Component Summary
Name	N-[(E)-METHYL](PHENYL)-N-[(E)-2-PROPENYLIDENE]METHANAMINIUM
Systematic Name (OpenEye OEToolkits)	(E)-1-cyclohex-3-enylmethyl-methyl-prop-2-enylidene-azanium
Formula	C₁₁ H₁₈ N
Molecular Weight	164.267
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	C(=[N+](/CC1CC=CCC1)C)\C=C
SMILES	CACTVS	3.341	C[N+](C[CH]1CCC=CC1)=CC=C
SMILES	OpenEye OEToolkits	1.5.0	C[N+](=CC=C)CC1CCC=CC1
Canonical SMILES	CACTVS	3.341	C\[N+](C[C@H]1CCC=CC1)=C/C=C
Canonical SMILES	OpenEye OEToolkits	1.5.0	C/[N+](=C\C=C)/CC1CCC=CC1
InChI	InChI	1.03	InChI=1S/C11H18N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-5,9,11H,1,6-8,10H2,2H3/q+1/b12-9+/t11-/m1/s1
InChIKey	InChI	1.03	JBWDRSYKLIXPFB-LWMMSDEHSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.