(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one

Systemtic Name: (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: (2R)-1-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: (2R)-1-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: (2R)-1-[(2S,6S)-2,6-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:

CC1CCCC(N1C(=O)C(C)CS(=O)(=O)N2CC[NH2+]CC2)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)[C@@H](C)CS(=O)(=O)N2CC[NH2+]CC2)C

InChI

InChI=1S/C15H29N3O3S/c1-12(11-22(20,21)17-9-7-16-8-10-17)15(19)18-13(2)5-4-6-14(18)3/h12-14,16H,4-11H2,1-3H3/p+1/t12-,13-,14-/m0/s1