2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]quinolin-1-ium CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 2-(4-tosylpiperazino)quinolin-1-ium Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

InChI

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