6-methyl-4-(4-phenylpiperazin-1-yl)-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-methyl-4-(4-phenylpiperazin-1-yl)-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-methyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-methyl-4-(4-phenyl-1-piperazinyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-methyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Traditional Name: 3-besyl-6-methyl-4-(4-phenylpiperazino)quinolin-1-ium Formula: C26H26N3O2S+ MolecularWeight: 444.56854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

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