methyl-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(isopentylamino)-2-oxo-ethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[2-(3-methylbutylamino)-2-oxoethyl]-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: methyl-[2-(3-methylbutylamino)-2-oxoethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: [2-(isoamylamino)-2-keto-ethyl]-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2S/c1-13(2)9-10-18-16(21)11-20(3)12-17(22)19-14-7-5-6-8-15(14)23-4/h5-8,13H,9-12H2,1-4H3,(H,18,21)(H,19,22)/p+1