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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]-phenethyl-azanium Openeye Name: [(1S)-1-methyl-2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl]-phenethyl-ammonium CAS Name: [(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]-phenethylammonium IUPAC Name: [(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]-phenethylazanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[(1S)-1-methylbutyl]amino]ethyl]-phenethyl-ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C(C)[NH2+]CCC1=CC=CC=C1

Isomeric SMILES

CCC[C@H](C)NC(=O)[C@H](C)[NH2+]CCC1=CC=CC=C1

InChI

InChI=1S/C16H26N2O/c1-4-8-13(2)18-16(19)14(3)17-12-11-15-9-6-5-7-10-15/h5-7,9-10,13-14,17H,4,8,11-12H2,1-3H3,(H,18,19)/p+1/t13-,14-/m0/s1