[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c1-16(2,12-17)19(4)15(20)11-18(3)10-13-6-8-14(21-5)9-7-13/h6-9H,10-11H2,1-5H3/p+1