cyanomethyl-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: cyanomethyl-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-methylanilino)-2-oxo-ethyl]-(cyanomethyl)ammonium CAS Name: cyanomethyl-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: cyanomethyl-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-(p-toluidino)ethyl]-(cyanomethyl)ammonium Formula: C18H20N3O+ MolecularWeight: 294.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)[NH2+]CC#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)[NH2+]CC#N

InChI

InChI=1S/C18H19N3O/c1-14-7-9-16(10-8-14)21-18(22)17(20-12-11-19)13-15-5-3-2-4-6-15/h2-10,17,20H,12-13H2,1H3,(H,21,22)/p+1/t17-/m0/s1