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

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-quinolin-1-ium Openeye Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-quinolin-1-ium CAS Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-6-methylquinolin-1-ium IUPAC Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylquinolin-1-ium Traditional Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(2-methoxyphenyl)piperazino]-6-methyl-quinolin-1-ium Formula: C27H27ClN3O3S+ MolecularWeight: 509.03958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O3S/c1-19-7-12-23-22(17-19)27(26(18-29-23)35(32,33)21-10-8-20(28)9-11-21)31-15-13-30(14-16-31)24-5-3-4-6-25(24)34-2/h3-12,17-18H,13-16H2,1-2H3/p+1