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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[(3-methoxyphenyl)amino]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-(3-methoxyanilino)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-(3-methoxyanilino)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-(3-methoxyanilino)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-(m-anisidino)pyridin-1-ium-3,5-dicarbonitrile Formula: C16H13N6O+ MolecularWeight: 305.31402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N

InChI

InChI=1S/C16H12N6O/c1-23-11-4-2-3-10(7-11)21-16-14(9-19)12(5-6-17)13(8-18)15(20)22-16/h2-4,7H,5H2,1H3,(H3,20,21,22)/p+1