2-cyanoethyl-methyl-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]azanium

Systemtic Name: 2-cyanoethyl-methyl-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]azanium Openeye Name: 2-cyanoethyl-[(1S)-2-(1-ethylpropylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-cyanoethyl-methyl-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]ammonium IUPAC Name: 2-cyanoethyl-methyl-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]azanium Traditional Name: 2-cyanoethyl-[(1S)-2-(1-ethylpropylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C12H24N3O+ MolecularWeight: 226.33846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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