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

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-methyl-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-6-methyl-3-tosyl-quinolin-1-ium Formula: C28H30N3O3S+ MolecularWeight: 488.6211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C28H29N3O3S/c1-20-4-11-24(12-5-20)35(32,33)27-19-29-26-13-6-21(2)18-25(26)28(27)31-16-14-30(15-17-31)22-7-9-23(34-3)10-8-22/h4-13,18-19H,14-17H2,1-3H3/p+1