[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C19H22N3O2S+ MolecularWeight: 356.46188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C19H21N3O2S/c1-22(12-13-24-16-7-3-2-4-8-16)15-19(23)21-17-9-5-6-10-18(17)25-14-11-20/h2-10H,12-15H2,1H3,(H,21,23)/p+1