2-cyanoethyl-methyl-[(2S)-1-oxidanylidene-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]azanium

Systemtic Name: 2-cyanoethyl-methyl-[(2S)-1-oxidanylidene-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]azanium Openeye Name: 2-cyanoethyl-methyl-[(1S)-1-methyl-2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl]ammonium CAS Name: 2-cyanoethyl-methyl-[(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]ammonium IUPAC Name: 2-cyanoethyl-methyl-[(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]azanium Traditional Name: 2-cyanoethyl-[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylbutyl]amino]ethyl]-methyl-ammonium Formula: C12H24N3O+ MolecularWeight: 226.33846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C(C)[NH+](C)CCC#N

Isomeric SMILES

CCC[C@H](C)NC(=O)[C@H](C)[NH+](C)CCC#N

InChI

InChI=1S/C12H23N3O/c1-5-7-10(2)14-12(16)11(3)15(4)9-6-8-13/h10-11H,5-7,9H2,1-4H3,(H,14,16)/p+1/t10-,11-/m0/s1