2-[[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonio]ethyl]ammonium CAS Name: 2-[[2-[2-(methylthio)anilino]-2-oxoethyl]ammonio]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-(2-methylsulfanylanilino)-2-oxoethyl]azaniumyl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[2-keto-2-[2-(methylthio)anilino]ethyl]ammonio]ethyl]ammonium Formula: C17H31N3OS+2 MolecularWeight: 325.51254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC[NH2+]CC(=O)NC1=CC=CC=C1SC)C(C)C

Isomeric SMILES

CC(C)[NH+](CC[NH2+]CC(=O)NC1=CC=CC=C1SC)C(C)C

InChI

InChI=1S/C17H29N3OS/c1-13(2)20(14(3)4)11-10-18-12-17(21)19-15-8-6-7-9-16(15)22-5/h6-9,13-14,18H,10-12H2,1-5H3,(H,19,21)/p+2