[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[(1S)-1-phenylethyl]azanium

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[(1S)-1-phenylethyl]azanium Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl]-[(1S)-1-phenylethyl]ammonium CAS Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]ammonium IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium Traditional Name: [2-(2-cyanoethylamino)-2-keto-ethyl]-[(1S)-1-phenylethyl]ammonium Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)NCCC#N

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH2+]CC(=O)NCCC#N

InChI

InChI=1S/C13H17N3O/c1-11(12-6-3-2-4-7-12)16-10-13(17)15-9-5-8-14/h2-4,6-7,11,16H,5,9-10H2,1H3,(H,15,17)/p+1/t11-/m0/s1