[(1S)-3-[2-cyanoethyl(methyl)amino]-3-oxidanylidene-1-phenyl-propyl]azanium

Systemtic Name: [(1S)-3-[2-cyanoethyl(methyl)amino]-3-oxidanylidene-1-phenyl-propyl]azanium Openeye Name: [(1S)-3-[2-cyanoethyl(methyl)amino]-3-oxo-1-phenyl-propyl]ammonium CAS Name: [(1S)-3-[2-cyanoethyl(methyl)amino]-3-oxo-1-phenylpropyl]ammonium IUPAC Name: [(1S)-3-[2-cyanoethyl(methyl)amino]-3-oxo-1-phenylpropyl]azanium Traditional Name: [(1S)-3-[2-cyanoethyl(methyl)amino]-3-keto-1-phenyl-propyl]ammonium Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O/c1-16(9-5-8-14)13(17)10-12(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,9-10,15H2,1H3/p+1/t12-/m0/s1