1-(1-methylsulfonylpiperidin-4-yl)-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(1-methylsulfonylpiperidin-4-yl)-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-(1-methylsulfonyl-4-piperidyl)piperazine-1,4-diium CAS Name: 1-(1-methylsulfonyl-4-piperidinyl)-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-(1-methylsulfonylpiperidin-4-yl)piperazine-1,4-diium Traditional Name: 1-benzyl-4-(1-mesyl-4-piperidyl)piperazine-1,4-diium Formula: C17H29N3O2S+2 MolecularWeight: 339.49606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H27N3O2S/c1-23(21,22)20-9-7-17(8-10-20)19-13-11-18(12-14-19)15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3/p+2