4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[4-(3-chlorophenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-4-[4-(3-chlorophenyl)piperazino]quinolin-1-ium Formula: C25H23ClN3O2S+ MolecularWeight: 464.98702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22ClN3O2S/c26-19-7-6-8-20(17-19)28-13-15-29(16-14-28)25-22-11-4-5-12-23(22)27-18-24(25)32(30,31)21-9-2-1-3-10-21/h1-12,17-18H,13-16H2/p+1