3-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-methyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C22H27N3O2S+2 MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-16-8-9-18(14-17(16)2)28(26,27)21-15-23-20-7-5-4-6-19(20)22(21)25-12-10-24(3)11-13-25/h4-9,14-15H,10-13H2,1-3H3/p+2