[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c19-17(22)13-24-16-11-7-6-10-15(16)21-18(23)12-20-14-8-4-2-1-3-5-9-14/h6-7,10-11,14,20H,1-5,8-9,12-13H2,(H2,19,22)(H,21,23)/p+1