[(2S)-1-[(2-azanyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-bis(cyanomethyl)azanium

Systemtic Name: [(2S)-1-[(2-azanyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-bis(cyanomethyl)azanium Openeye Name: [(1S)-2-(2-amino-4-methoxy-anilino)-1-methyl-2-oxo-ethyl]-bis(cyanomethyl)ammonium CAS Name: [(2S)-1-(2-amino-4-methoxyanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)ammonium IUPAC Name: [(2S)-1-(2-amino-4-methoxyanilino)-1-oxopropan-2-yl]-bis(cyanomethyl)azanium Traditional Name: [(1S)-2-(2-amino-4-methoxy-anilino)-2-keto-1-methyl-ethyl]-bis(cyanomethyl)ammonium Formula: C14H18N5O2+ MolecularWeight: 288.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)N)[NH+](CC#N)CC#N

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)OC)N)[NH+](CC#N)CC#N

InChI

InChI=1S/C14H17N5O2/c1-10(19(7-5-15)8-6-16)14(20)18-13-4-3-11(21-2)9-12(13)17/h3-4,9-10H,7-8,17H2,1-2H3,(H,18,20)/p+1/t10-/m0/s1