4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-4-[4-(2-methoxyphenyl)piperazino]quinolin-1-ium Formula: C26H26N3O3S+ MolecularWeight: 460.56794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3S/c1-32-24-14-8-7-13-23(24)28-15-17-29(18-16-28)26-21-11-5-6-12-22(21)27-19-25(26)33(30,31)20-9-3-2-4-10-20/h2-14,19H,15-18H2,1H3/p+1