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

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C([NH+]=CC=C2)N

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C([NH+]=CC=C2)N

InChI

InChI=1S/C17H19N3O3/c1-2-20(11-13-7-4-3-5-8-13)15(21)12-23-17(22)14-9-6-10-19-16(14)18/h3-10H,2,11-12H2,1H3,(H2,18,19)/p+1