6-methoxy-3-(4-methylphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium

Systemtic Name: 6-methoxy-3-(4-methylphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methoxy-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-methoxy-3-(4-methylphenyl)sulfonyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methoxy-3-tosyl-quinolin-1-ium Formula: C28H31N3O3S+2 MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CC[NH+](CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CC[NH+](CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N3O3S/c1-21-8-11-24(12-9-21)35(32,33)27-19-29-26-13-10-23(34-2)18-25(26)28(27)31-16-14-30(15-17-31)20-22-6-4-3-5-7-22/h3-13,18-19H,14-17,20H2,1-2H3/p+2