2-azanyl-4-(3,4-dimethoxyphenyl)-6-methoxy-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(3,4-dimethoxyphenyl)-6-methoxy-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxy-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-methoxy-pyridin-1-ium-3,5-dicarbonitrile Formula: C16H15N4O3+ MolecularWeight: 311.3153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)OC)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)OC)N)C#N)OC

InChI

InChI=1S/C16H14N4O3/c1-21-12-5-4-9(6-13(12)22-2)14-10(7-17)15(19)20-16(23-3)11(14)8-18/h4-6H,1-3H3,(H2,19,20)/p+1