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

Systemtic Name: methyl-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(isobutylcarbamoylamino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-12(2)9-17-16(21)18-15(20)11-19(3)10-13-5-7-14(22-4)8-6-13/h5-8,12H,9-11H2,1-4H3,(H2,17,18,20,21)/p+1