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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(phenylmethyl)amino]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 6-(benzylamino)-5-cyano-2-methylpyridin-1-ium-3-carboxylate Traditional Name: 6-(benzylamino)-5-cyano-2-methyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)NCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)NCC2=CC=CC=C2)C

InChI

InChI=1S/C17H17N3O2/c1-3-22-17(21)15-9-14(10-18)16(20-12(15)2)19-11-13-7-5-4-6-8-13/h4-9H,3,11H2,1-2H3,(H,19,20)/p+1