(3S,5S)-3,5-dimethyl-1-[(3R)-piperidin-1-ium-3-yl]sulfonyl-piperidine

Systemtic Name: (3S,5S)-3,5-dimethyl-1-[(3R)-piperidin-1-ium-3-yl]sulfonyl-piperidine Openeye Name: (3S,5S)-3,5-dimethyl-1-[(3R)-piperidin-1-ium-3-yl]sulfonyl-piperidine CAS Name: (3S,5S)-3,5-dimethyl-1-[[(3R)-3-piperidin-1-iumyl]sulfonyl]piperidine IUPAC Name: (3S,5S)-3,5-dimethyl-1-[(3R)-piperidin-1-ium-3-yl]sulfonylpiperidine Traditional Name: (3S,5S)-3,5-dimethyl-1-[(3R)-piperidin-1-ium-3-yl]sulfonyl-piperidine Formula: C12H25N2O2S+ MolecularWeight: 261.4041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2CCC[NH2+]C2)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)[C@@H]2CCC[NH2+]C2)C

InChI

InChI=1S/C12H24N2O2S/c1-10-6-11(2)9-14(8-10)17(15,16)12-4-3-5-13-7-12/h10-13H,3-9H2,1-2H3/p+1/t10-,11-,12+/m0/s1