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

Systemtic Name: methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]azanium Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl]-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]ammonium IUPAC Name: methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]azanium Traditional Name: [2-[2-(allylthio)anilino]-2-keto-ethyl]-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-5-10-23-15-9-7-6-8-14(15)19-17(22)12-20(4)11-16(21)18-13(2)3/h5-9,13H,1,10-12H2,2-4H3,(H,18,21)(H,19,22)/p+1