[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)CC1=CC=C(C=C1)SC

InChI

InChI=1S/C17H25N3OS/c1-13(2)17(3,12-18)19-16(21)11-20(4)10-14-6-8-15(22-5)9-7-14/h6-9,13H,10-11H2,1-5H3,(H,19,21)/p+1/t17-/m0/s1