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

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]-(4-pyridylmethyl)ammonium CAS Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl]-(4-pyridylmethyl)ammonium Formula: C12H18N3O+ MolecularWeight: 220.29082

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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/C12H17N3O/c1-3-6-14-12(16)10(2)15-9-11-4-7-13-8-5-11/h3-5,7-8,10,15H,1,6,9H2,2H3,(H,14,16)/p+1/t10-/m0/s1