[5-chloranyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-8-yl] 4-methylbenzoate

Systemtic Name: [5-chloranyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-8-yl] 4-methylbenzoate Openeye Name: [5-chloro-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-8-quinolyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-chloro-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-8-quinolinyl] ester IUPAC Name: [5-chloro-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-8-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-chloro-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-8-quinolyl] ester Formula: C23H26ClN3O2+2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2C[NH+]4CC[NH+](CC4)C)Cl)C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2C[NH+]4CC[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+2