methyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: methyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(isoamylcarbamoylamino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+](C)CC1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+](C)CC1=CC=C(C=C1)SC

InChI

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