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

Systemtic Name: [(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]-phenethyl-azanium Openeye Name: [(1S)-2-(dimethylamino)-1-methyl-2-oxo-ethyl]-phenethyl-ammonium CAS Name: [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-phenethylammonium IUPAC Name: [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-phenethylazanium Traditional Name: [(1S)-2-(dimethylamino)-2-keto-1-methyl-ethyl]-phenethyl-ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-11(13(16)15(2)3)14-10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/p+1/t11-/m0/s1