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

Systemtic Name: 2-azanyl-6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C20H17BrN3O2+ MolecularWeight: 411.27188

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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)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O2/c1-25-18-8-5-13(9-19(18)26-2)15-10-17(24-20(23)16(15)11-22)12-3-6-14(21)7-4-12/h3-10H,1-2H3,(H2,23,24)/p+1