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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C18H25N3OS/c19-12-13-23-17-11-7-6-10-16(17)21-18(22)14-20-15-8-4-2-1-3-5-9-15/h6-7,10-11,15,20H,1-5,8-9,13-14H2,(H,21,22)/p+1