2-azanyl-6-(2-bromophenyl)-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-6-(2-bromophenyl)-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-6-(2-bromophenyl)-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-6-(2-bromophenyl)-4-(3,4,5-trimethoxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-6-(2-bromophenyl)-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-(2-bromophenyl)-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C21H19BrN3O3+ MolecularWeight: 441.29786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=[NH+]C(=C2C#N)N)C3=CC=CC=C3Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=[NH+]C(=C2C#N)N)C3=CC=CC=C3Br

InChI

InChI=1S/C21H18BrN3O3/c1-26-18-8-12(9-19(27-2)20(18)28-3)14-10-17(25-21(24)15(14)11-23)13-6-4-5-7-16(13)22/h4-10H,1-3H3,(H2,24,25)/p+1