[(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[4-(methylthio)benzyl]ammonium Formula: C16H26NS+ MolecularWeight: 264.44934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@H]1C)[NH2+]CC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H25NS/c1-12-5-4-6-16(13(12)2)17-11-14-7-9-15(18-3)10-8-14/h7-10,12-13,16-17H,4-6,11H2,1-3H3/p+1/t12-,13-,16-/m0/s1