2-azanyl-4-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C21H20N3O3+ MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=[NH+]C(=C2C#N)N)C3=CC(=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=[NH+]C(=C2C#N)N)C3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C21H19N3O3/c1-25-15-6-4-5-14(9-15)18-11-16(17(12-22)21(23)24-18)13-7-8-19(26-2)20(10-13)27-3/h4-11H,1-3H3,(H2,23,24)/p+1