N-[(2S)-3-[methyl-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]azaniumyl]-2-oxidanyl-propyl]sulfamate

Systemtic Name: N-[(2S)-3-[methyl-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]azaniumyl]-2-oxidanyl-propyl]sulfamate Openeye Name: N-[(2S)-2-hydroxy-3-[[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-methyl-ammonio]propyl]sulfamate CAS Name: N-[(2S)-2-hydroxy-3-[[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-methylammonio]propyl]sulfamate IUPAC Name: N-[(2S)-2-hydroxy-3-[[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-methylazaniumyl]propyl]sulfamate Traditional Name: N-[(2S)-2-hydroxy-3-[[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-methyl-ammonio]propyl]sulfamate Formula: C12H28N3O5S+ MolecularWeight: 326.43282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(CNS(=O)(=O)[O-])O)CC(C[NH+]1CCCCC1)O

Isomeric SMILES

C[NH+](C[C@@H](CNS(=O)(=O)[O-])O)C[C@H](C[NH+]1CCCCC1)O

InChI

InChI=1S/C12H27N3O5S/c1-14(8-11(16)7-13-21(18,19)20)9-12(17)10-15-5-3-2-4-6-15/h11-13,16-17H,2-10H2,1H3,(H,18,19,20)/p+1/t11-,12-/m1/s1