[2-methyl-2-[5-oxidanidyl-2-(phenylmethyl)imidazo[4,5-c]quinolin-5-ium-1-yl]propyl] ethanoate

Systemtic Name: [2-methyl-2-[5-oxidanidyl-2-(phenylmethyl)imidazo[4,5-c]quinolin-5-ium-1-yl]propyl] ethanoate Openeye Name: [2-(2-benzyl-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-yl)-2-methyl-propyl] acetate CAS Name: acetic acid [2-methyl-2-[5-oxido-2-(phenylmethyl)-1-imidazo[4,5-c]quinolin-5-iumyl]propyl] ester IUPAC Name: [2-(2-benzyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)-2-methylpropyl] acetate Traditional Name: acetic acid [2-(2-benzyl-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-yl)-2-methyl-propyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)N1C(=NC2=C1C3=CC=CC=C3[N+](=C2)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC(C)(C)N1C(=NC2=C1C3=CC=CC=C3[N+](=C2)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c1-16(27)29-15-23(2,3)26-21(13-17-9-5-4-6-10-17)24-19-14-25(28)20-12-8-7-11-18(20)22(19)26/h4-12,14H,13,15H2,1-3H3