4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxy-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxy-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxy-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[4-(3-chlorophenyl)-1-piperazinyl]-6-methoxyquinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxyquinolin-1-ium Traditional Name: 3-besyl-4-[4-(3-chlorophenyl)piperazino]-6-methoxy-quinolin-1-ium Formula: C26H25ClN3O3S+ MolecularWeight: 495.013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H24ClN3O3S/c1-33-21-10-11-24-23(17-21)26(25(18-28-24)34(31,32)22-8-3-2-4-9-22)30-14-12-29(13-15-30)20-7-5-6-19(27)16-20/h2-11,16-18H,12-15H2,1H3/p+1