[(3S,5S)-5-azaniumyl-3,5-dimethyl-4-oxidanylidene-heptan-3-yl]azanium

Systemtic Name: [(3S,5S)-5-azaniumyl-3,5-dimethyl-4-oxidanylidene-heptan-3-yl]azanium Openeye Name: [(1S,3S)-3-azaniumyl-1-ethyl-1,3-dimethyl-2-oxo-pentyl]ammonium CAS Name: [(3S,5S)-5-ammonio-3,5-dimethyl-4-oxoheptan-3-yl]ammonium IUPAC Name: [(3S,5S)-5-azaniumyl-3,5-dimethyl-4-oxoheptan-3-yl]azanium Traditional Name: [(1S,3S)-3-ammonio-1-ethyl-2-keto-1,3-dimethyl-pentyl]ammonium Formula: C9H22N2O+2 MolecularWeight: 174.28378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C(C)(CC)[NH3+])[NH3+]

Isomeric SMILES

CC[C@@](C)(C(=O)[C@](C)(CC)[NH3+])[NH3+]

InChI

InChI=1S/C9H20N2O/c1-5-8(3,10)7(12)9(4,11)6-2/h5-6,10-11H2,1-4H3/p+2/t8-,9-/m0/s1