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

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(propargylamino)ethyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)[NH2+]CCC1=CC=CC=N1

Isomeric SMILES

C[C@@H](C(=O)NCC#C)[NH2+]CCC1=CC=CC=N1

InChI

InChI=1S/C13H17N3O/c1-3-8-16-13(17)11(2)14-10-7-12-6-4-5-9-15-12/h1,4-6,9,11,14H,7-8,10H2,2H3,(H,16,17)/p+1/t11-/m0/s1