1-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[1-(p-tolylsulfonyl)-4-piperidyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-1,4-diium Traditional Name: 1-methyl-4-(1-tosyl-4-piperidyl)piperazine-1,4-diium Formula: C17H29N3O2S+2 MolecularWeight: 339.49606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2S/c1-15-3-5-17(6-4-15)23(21,22)20-9-7-16(8-10-20)19-13-11-18(2)12-14-19/h3-6,16H,7-14H2,1-2H3/p+2