6-chloranyl-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium

Systemtic Name: 6-chloranyl-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Openeye Name: 6-chloro-4-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-chloro-3-(4-methylphenyl)sulfonyl-4-(4-methyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 6-chloro-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 6-chloro-4-(4-methylpiperazin-4-ium-1-yl)-3-tosyl-quinolin-1-ium Formula: C21H24ClN3O2S+2 MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CC[NH+](CC4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CC[NH+](CC4)C)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-15-3-6-17(7-4-15)28(26,27)20-14-23-19-8-5-16(22)13-18(19)21(20)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3/p+2