[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]azanium Traditional Name: benzyl-[(1S)-2-keto-1-methyl-2-(propargylamino)ethyl]ammonium Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O/c1-3-9-14-13(16)11(2)15-10-12-7-5-4-6-8-12/h1,4-8,11,15H,9-10H2,2H3,(H,14,16)/p+1/t11-/m0/s1