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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-(4-methyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 3-besyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C20H23N3O2S+2 MolecularWeight: 369.48052

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-22-11-13-23(14-12-22)20-17-9-5-6-10-18(17)21-15-19(20)26(24,25)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/p+2