[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-1-carbamoyl-2-methyl-propyl]-methyl-ammonium CAS Name: [(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-benzyl-methylazanium Traditional Name: benzyl-[(1S)-1-carbamoyl-2-methyl-propyl]-methyl-ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)[NH+](C)CC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)N)[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C13H20N2O/c1-10(2)12(13(14)16)15(3)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H2,14,16)/p+1/t12-/m0/s1