1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one

Systemtic Name: 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-2,2-dimethyl-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: 1-[(3S,5R)-3,5-dimethylpiperidino]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C16H32N3O3S+ MolecularWeight: 346.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)(C)CS(=O)(=O)N2CC[NH2+]CC2)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)C(C)(C)CS(=O)(=O)N2CC[NH2+]CC2)C

InChI

InChI=1S/C16H31N3O3S/c1-13-9-14(2)11-18(10-13)15(20)16(3,4)12-23(21,22)19-7-5-17-6-8-19/h13-14,17H,5-12H2,1-4H3/p+1/t13-,14+