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

Systemtic Name: 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: 1-[(3S,5R)-3,5-dimethylpiperidino]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C14H28N3O3S+ MolecularWeight: 318.45542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O3S/c1-12-9-13(2)11-16(10-12)14(18)3-8-21(19,20)17-6-4-15-5-7-17/h12-13,15H,3-11H2,1-2H3/p+1/t12-,13+