1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-phenyl-4-[1-(p-tolylsulfonyl)-4-piperidyl]piperazin-4-ium CAS Name: 1-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-phenyl-4-(1-tosyl-4-piperidyl)piperazin-4-ium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O2S/c1-19-7-9-22(10-8-19)28(26,27)25-13-11-21(12-14-25)24-17-15-23(16-18-24)20-5-3-2-4-6-20/h2-10,21H,11-18H2,1H3/p+1