2-azanyl-6-(2,5-dimethoxyphenyl)-4-(3-methylphenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-6-(2,5-dimethoxyphenyl)-4-(3-methylphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-6-(2,5-dimethoxyphenyl)-4-(m-tolyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-6-(2,5-dimethoxyphenyl)-4-(3-methylphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-6-(2,5-dimethoxyphenyl)-4-(3-methylphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-6-(2,5-dimethoxyphenyl)-4-(m-tolyl)pyridin-1-ium-3-carbonitrile Formula: C21H20N3O2+ MolecularWeight: 346.4024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=[NH+]C(=C2C#N)N)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=[NH+]C(=C2C#N)N)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H19N3O2/c1-13-5-4-6-14(9-13)16-11-19(24-21(23)18(16)12-22)17-10-15(25-2)7-8-20(17)26-3/h4-11H,1-3H3,(H2,23,24)/p+1