[5-chloranyl-7-[(4-methylpiperazin-4-ium-1-yl)methyl]quinolin-8-yl] 4-methylbenzoate

Systemtic Name: [5-chloranyl-7-[(4-methylpiperazin-4-ium-1-yl)methyl]quinolin-8-yl] 4-methylbenzoate Openeye Name: [5-chloro-7-[(4-methylpiperazin-4-ium-1-yl)methyl]-8-quinolyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-chloro-7-[(4-methyl-1-piperazin-4-iumyl)methyl]-8-quinolinyl] ester IUPAC Name: [5-chloro-7-[(4-methylpiperazin-4-ium-1-yl)methyl]quinolin-8-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-chloro-7-[(4-methylpiperazin-4-ium-1-yl)methyl]-8-quinolyl] ester Formula: C23H25ClN3O2+ MolecularWeight: 410.9165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2CN4CC[NH+](CC4)C)Cl)C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2CN4CC[NH+](CC4)C)Cl)C=CC=N3

InChI

InChI=1S/C23H24ClN3O2/c1-16-5-7-17(8-6-16)23(28)29-22-18(15-27-12-10-26(2)11-13-27)14-20(24)19-4-3-9-25-21(19)22/h3-9,14H,10-13,15H2,1-2H3/p+1