[3-(5-oxidanidylimidazo[4,5-c]quinolin-5-ium-1-yl)-2-(phenylcarbonyloxy)propyl] benzoate

Systemtic Name: [3-(5-oxidanidylimidazo[4,5-c]quinolin-5-ium-1-yl)-2-(phenylcarbonyloxy)propyl] benzoate Openeye Name: [2-benzoyloxy-3-(5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)propyl] benzoate CAS Name: benzoic acid [2-benzoyloxy-3-(5-oxido-1-imidazo[4,5-c]quinolin-5-iumyl)propyl] ester IUPAC Name: [2-benzoyloxy-3-(5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)propyl] benzoate Traditional Name: benzoic acid [2-benzoyloxy-3-(5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)propyl] ester Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(CN2C=NC3=C2C4=CC=CC=C4[N+](=C3)[O-])OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(CN2C=NC3=C2C4=CC=CC=C4[N+](=C3)[O-])OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O5/c31-26(19-9-3-1-4-10-19)34-17-21(35-27(32)20-11-5-2-6-12-20)15-29-18-28-23-16-30(33)24-14-8-7-13-22(24)25(23)29/h1-14,16,18,21H,15,17H2