cyclohexyl-methyl-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]azanium

Systemtic Name: cyclohexyl-methyl-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]azanium Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: cyclohexyl-methyl-[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]ammonium IUPAC Name: cyclohexyl-methyl-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]azanium Traditional Name: [2-[2-(allylthio)anilino]-2-keto-ethyl]-cyclohexyl-methyl-ammonium Formula: C18H27N2OS+ MolecularWeight: 319.48478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC=C1SCC=C)C2CCCCC2

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC=C1SCC=C)C2CCCCC2

InChI

InChI=1S/C18H26N2OS/c1-3-13-22-17-12-8-7-11-16(17)19-18(21)14-20(2)15-9-5-4-6-10-15/h3,7-8,11-12,15H,1,4-6,9-10,13-14H2,2H3,(H,19,21)/p+1