[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[(3-ethanoylphenyl)methyl]azanium

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[(3-ethanoylphenyl)methyl]azanium Openeye Name: (3-acetylphenyl)methyl-[(1S)-2-amino-1-methyl-2-oxo-ethyl]ammonium CAS Name: (3-acetylphenyl)methyl-[(2S)-1-amino-1-oxopropan-2-yl]ammonium IUPAC Name: (3-acetylphenyl)methyl-[(2S)-1-amino-1-oxopropan-2-yl]azanium Traditional Name: (3-acetylbenzyl)-[(1S)-2-amino-2-keto-1-methyl-ethyl]ammonium Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH2+]CC1=CC=CC(=C1)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)N)[NH2+]CC1=CC=CC(=C1)C(=O)C

InChI

InChI=1S/C12H16N2O2/c1-8(12(13)16)14-7-10-4-3-5-11(6-10)9(2)15/h3-6,8,14H,7H2,1-2H3,(H2,13,16)/p+1/t8-/m0/s1