[(2S)-1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl]ammonium Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N(CCC#N)C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C12H15N3O/c1-10(14)12(16)15(9-5-8-13)11-6-3-2-4-7-11/h2-4,6-7,10H,5,9,14H2,1H3/p+1/t10-/m0/s1