methyl 5-cyano-2-methyl-6-[(phenylmethyl)amino]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 5-cyano-2-methyl-6-[(phenylmethyl)amino]pyridin-1-ium-3-carboxylate Openeye Name: methyl 6-(benzylamino)-5-cyano-2-methyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(phenylmethyl)amino]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-(benzylamino)-5-cyano-2-methylpyridin-1-ium-3-carboxylate Traditional Name: 6-(benzylamino)-5-cyano-2-methyl-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C16H16N3O2+ MolecularWeight: 282.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)NCC2=CC=CC=C2)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)NCC2=CC=CC=C2)C#N)C(=O)OC

InChI

InChI=1S/C16H15N3O2/c1-11-14(16(20)21-2)8-13(9-17)15(19-11)18-10-12-6-4-3-5-7-12/h3-8H,10H2,1-2H3,(H,18,19)/p+1