(4-methylsulfanylphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: (4-methylsulfanylphenyl)methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [4-(methylthio)phenyl]methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: (4-methylsulfanylphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [4-(methylthio)benzyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C16H28NS+ MolecularWeight: 266.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]CC1=CC=C(C=C1)SC

InChI

InChI=1S/C16H27NS/c1-15(2,3)12-16(4,5)17-11-13-7-9-14(18-6)10-8-13/h7-10,17H,11-12H2,1-6H3/p+1