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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-(homoveratrylamino)pyridin-1-ium-3,5-dicarbonitrile Formula: C19H19N6O2+ MolecularWeight: 363.39316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N)OC

InChI

InChI=1S/C19H18N6O2/c1-26-16-4-3-12(9-17(16)27-2)6-8-24-19-15(11-22)13(5-7-20)14(10-21)18(23)25-19/h3-4,9H,5-6,8H2,1-2H3,(H3,23,24,25)/p+1