3-(4-chlorophenyl)sulfonyl-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Openeye Name: 3-(4-chlorophenyl)sulfonyl-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline CAS Name: 3-(4-chlorophenyl)sulfonyl-6-ethyl-4-(4-methyl-1-piperazin-4-iumyl)quinoline IUPAC Name: 3-(4-chlorophenyl)sulfonyl-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Traditional Name: 3-(4-chlorophenyl)sulfonyl-6-ethyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Formula: C22H25ClN3O2S+ MolecularWeight: 430.9708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2S/c1-3-16-4-9-20-19(14-16)22(26-12-10-25(2)11-13-26)21(15-24-20)29(27,28)18-7-5-17(23)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3/p+1