6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-ethyl-4-(4-methyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 3-besyl-6-ethyl-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=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)C

InChI

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