[(2S)-1-hexoxy-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-hexoxy-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-hexoxycarbonyl-3-methyl-butyl]ammonium CAS Name: [(2S)-1-hexoxy-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-hexoxy-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-hexoxycarbonyl-3-methyl-butyl]ammonium Formula: C12H26NO2+ MolecularWeight: 216.34034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25NO2/c1-4-5-6-7-8-15-12(14)11(13)9-10(2)3/h10-11H,4-9,13H2,1-3H3/p+1/t11-/m0/s1