[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]azanium Traditional Name: benzyl-[(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C17H18N3O+ MolecularWeight: 280.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH2+]CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C#N)[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O/c1-13(19-12-14-7-3-2-4-8-14)17(21)20-16-10-6-5-9-15(16)11-18/h2-10,13,19H,12H2,1H3,(H,20,21)/p+1/t13-/m0/s1