[6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-1-yl]quinolin-1-ium-3-yl]-(4-methylphenyl)methanone

Systemtic Name: [6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-1-yl]quinolin-1-ium-3-yl]-(4-methylphenyl)methanone Openeye Name: [4-(4-benzylpiperazin-1-yl)-6,7-dimethoxy-quinolin-1-ium-3-yl]-(p-tolyl)methanone CAS Name: [6,7-dimethoxy-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolin-1-iumyl]-(4-methylphenyl)methanone IUPAC Name: [4-(4-benzylpiperazin-1-yl)-6,7-dimethoxyquinolin-1-ium-3-yl]-(4-methylphenyl)methanone Traditional Name: [4-(4-benzylpiperazino)-6,7-dimethoxy-quinolin-1-ium-3-yl]-(p-tolyl)methanone Formula: C30H32N3O3+ MolecularWeight: 482.59338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=CC(=C(C=C3[NH+]=C2)OC)OC)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=CC(=C(C=C3[NH+]=C2)OC)OC)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3/c1-21-9-11-23(12-10-21)30(34)25-19-31-26-18-28(36-3)27(35-2)17-24(26)29(25)33-15-13-32(14-16-33)20-22-7-5-4-6-8-22/h4-12,17-19H,13-16,20H2,1-3H3/p+1