[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(phenylmethyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(phenylmethyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate CAS Name: 2-(phenylmethyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate Traditional Name: 2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C31H32N3O3+ MolecularWeight: 494.60408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C3C[NH+](CCC3=NC4=CC=CC=C42)CC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C3C[NH+](CCC3=NC4=CC=CC=C42)CC5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3/c1-21(2)23-12-6-8-14-26(23)33-29(35)20-37-31(36)30-24-13-7-9-15-27(24)32-28-16-17-34(19-25(28)30)18-22-10-4-3-5-11-22/h3-15,21H,16-20H2,1-2H3,(H,33,35)/p+1