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

Systemtic Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-[ethyl(1-naphthyl)amino]-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-[ethyl(1-naphthalenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-[ethyl(1-naphthyl)amino]-2-keto-ethyl] ester Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)C3=C([NH+]=CC=C3)N

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)C3=C([NH+]=CC=C3)N

InChI

InChI=1S/C20H19N3O3/c1-2-23(17-11-5-8-14-7-3-4-9-15(14)17)18(24)13-26-20(25)16-10-6-12-22-19(16)21/h3-12H,2,13H2,1H3,(H2,21,22)/p+1