2-azanyl-4-(cyanomethyl)-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-[homoveratryl(methyl)amino]pyridin-1-ium-3,5-dicarbonitrile Formula: C20H21N6O2+ MolecularWeight: 377.41974

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N

InChI

InChI=1S/C20H20N6O2/c1-26(9-7-13-4-5-17(27-2)18(10-13)28-3)20-16(12-23)14(6-8-21)15(11-22)19(24)25-20/h4-5,10H,6-7,9H2,1-3H3,(H2,24,25)/p+1