[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]-(4-pyridylmethyl)ammonium CAS Name: [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(propargylamino)ethyl]-(4-pyridylmethyl)ammonium Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O/c1-3-6-14-12(16)10(2)15-9-11-4-7-13-8-5-11/h1,4-5,7-8,10,15H,6,9H2,2H3,(H,14,16)/p+1/t10-/m0/s1