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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CC[NH+](CC4)C

InChI

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