4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-4-[4-(2,5-dimethylphenyl)piperazino]quinolin-1-ium Formula: C27H28N3O2S+ MolecularWeight: 458.59512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

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