3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium

Systemtic Name: 3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Openeye Name: 4-(4-phenylpiperazin-1-yl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 3-(4-methylphenyl)sulfonyl-4-(4-phenyl-1-piperazinyl)quinolin-1-ium IUPAC Name: 3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Traditional Name: 4-(4-phenylpiperazino)-3-tosyl-quinolin-1-ium Formula: C26H26N3O2S+ MolecularWeight: 444.56854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S/c1-20-11-13-22(14-12-20)32(30,31)25-19-27-24-10-6-5-9-23(24)26(25)29-17-15-28(16-18-29)21-7-3-2-4-8-21/h2-14,19H,15-18H2,1H3/p+1