3-(3,4-dimethylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-phenyl-1-piperazinyl)quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-phenylpiperazino)quinolin-1-ium Formula: C27H28N3O2S+ MolecularWeight: 458.59512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2S/c1-20-12-13-23(18-21(20)2)33(31,32)26-19-28-25-11-7-6-10-24(25)27(26)30-16-14-29(15-17-30)22-8-4-3-5-9-22/h3-13,18-19H,14-17H2,1-2H3/p+1