4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-6-methylquinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylquinolin-1-ium Traditional Name: 3-besyl-4-[4-(2-methoxyphenyl)piperazino]-6-methyl-quinolin-1-ium Formula: C27H28N3O3S+ MolecularWeight: 474.59452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C27H27N3O3S/c1-20-12-13-23-22(18-20)27(26(19-28-23)34(31,32)21-8-4-3-5-9-21)30-16-14-29(15-17-30)24-10-6-7-11-25(24)33-2/h3-13,18-19H,14-17H2,1-2H3/p+1