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

Systemtic Name: ethyl 5-cyano-6-[methyl-(phenylmethyl)amino]-2-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 6-[benzyl(methyl)amino]-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-6-[methyl-(phenylmethyl)amino]-2-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-[benzyl(methyl)amino]-5-cyano-2-phenylpyridin-1-ium-3-carboxylate Traditional Name: 6-[benzyl(methyl)amino]-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N(C)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N(C)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O2/c1-3-28-23(27)20-14-19(15-24)22(25-21(20)18-12-8-5-9-13-18)26(2)16-17-10-6-4-7-11-17/h4-14H,3,16H2,1-2H3/p+1