[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=C([NH+]=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=C([NH+]=CC=C3)N

InChI

InChI=1S/C23H23N3O3/c24-22-20(12-7-14-25-22)23(28)29-17-21(27)26(16-19-10-5-2-6-11-19)15-13-18-8-3-1-4-9-18/h1-12,14H,13,15-17H2,(H2,24,25)/p+1