4-[[[3-cyano-6-(4-methoxyphenyl)pyridin-1-ium-2-yl]amino]methyl]benzoate

Systemtic Name: 4-[[[3-cyano-6-(4-methoxyphenyl)pyridin-1-ium-2-yl]amino]methyl]benzoate Openeye Name: 4-[[[3-cyano-6-(4-methoxyphenyl)pyridin-1-ium-2-yl]amino]methyl]benzoate CAS Name: 4-[[[3-cyano-6-(4-methoxyphenyl)-2-pyridin-1-iumyl]amino]methyl]benzoate IUPAC Name: 4-[[[3-cyano-6-(4-methoxyphenyl)pyridin-1-ium-2-yl]amino]methyl]benzoate Traditional Name: 4-[[[3-cyano-6-(4-methoxyphenyl)pyridin-1-ium-2-yl]amino]methyl]benzoate Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C#N)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C#N)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H17N3O3/c1-27-18-9-6-15(7-10-18)19-11-8-17(12-22)20(24-19)23-13-14-2-4-16(5-3-14)21(25)26/h2-11H,13H2,1H3,(H,23,24)(H,25,26)