3-(3,4-dimethylphenyl)sulfonyl-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(4-fluorophenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(4-fluorophenyl)piperazino]quinolin-1-ium Formula: C27H27FN3O2S+ MolecularWeight: 476.585583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN3O2S/c1-19-7-12-23(17-20(19)2)34(32,33)26-18-29-25-6-4-3-5-24(25)27(26)31-15-13-30(14-16-31)22-10-8-21(28)9-11-22/h3-12,17-18H,13-16H2,1-2H3/p+1