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

Systemtic Name: 3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 3-(4-methylphenyl)sulfonyl-4-(4-methyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-tosyl-quinolin-1-ium Formula: C21H25N3O2S+2 MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H23N3O2S/c1-16-7-9-17(10-8-16)27(25,26)20-15-22-19-6-4-3-5-18(19)21(20)24-13-11-23(2)12-14-24/h3-10,15H,11-14H2,1-2H3/p+2