1-methyl-4-[1-(phenylsulfonyl)piperidin-4-yl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[1-(phenylsulfonyl)piperidin-4-yl]piperazine-1,4-diium Openeye Name: 1-[1-(benzenesulfonyl)-4-piperidyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[1-(benzenesulfonyl)-4-piperidinyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-(1-besyl-4-piperidyl)-4-methyl-piperazine-1,4-diium Formula: C16H27N3O2S+2 MolecularWeight: 325.46948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H25N3O2S/c1-17-11-13-18(14-12-17)15-7-9-19(10-8-15)22(20,21)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3/p+2