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

Systemtic Name: (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: (2S)-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: (2S)-1-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: (2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: (2S)-1-[(3S,5R)-3,5-dimethylpiperidino]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C15H30N3O3S+ MolecularWeight: 332.482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O3S/c1-12-8-13(2)10-17(9-12)15(19)14(3)11-22(20,21)18-6-4-16-5-7-18/h12-14,16H,4-11H2,1-3H3/p+1/t12-,13+,14-/m1/s1