4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-methylquinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinolin-1-ium Traditional Name: 3-besyl-4-[4-(2,3-dimethylphenyl)piperazino]-6-methyl-quinolin-1-ium Formula: C28H30N3O2S+ MolecularWeight: 472.6217

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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(=C5C)C

Isomeric SMILES

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC(=C5C)C

InChI

InChI=1S/C28H29N3O2S/c1-20-12-13-25-24(18-20)28(27(19-29-25)34(32,33)23-9-5-4-6-10-23)31-16-14-30(15-17-31)26-11-7-8-21(2)22(26)3/h4-13,18-19H,14-17H2,1-3H3/p+1