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

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Openeye Name: 3-(4-chlorophenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 3-(4-chlorophenyl)sulfonyl-4-(4-methyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(4-chlorophenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 3-(4-chlorophenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C20H22ClN3O2S+2 MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-23-10-12-24(13-11-23)20-17-4-2-3-5-18(17)22-14-19(20)27(25,26)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3/p+2