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

Systemtic Name: 2-azanyl-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C20H18N3O3+ MolecularWeight: 348.37522

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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=C(C=C3)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3/c1-25-18-8-5-13(9-19(18)26-2)15-10-17(23-20(22)16(15)11-21)12-3-6-14(24)7-4-12/h3-10,24H,1-2H3,(H2,22,23)/p+1