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

Systemtic Name: ethyl-[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]-ethyl-[2-(isopropylamino)-2-oxo-ethyl]ammonium CAS Name: ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]ammonium IUPAC Name: ethyl-[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]-ethyl-[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-5-11-24-16-10-8-7-9-15(16)20-18(23)13-21(6-2)12-17(22)19-14(3)4/h5,7-10,14H,1,6,11-13H2,2-4H3,(H,19,22)(H,20,23)/p+1