[(3R,5S)-3,5-dimethyl-1-adamantyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[4-(methylthio)benzyl]ammonium Formula: C20H30NS+ MolecularWeight: 316.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)[NH2+]CC4=CC=C(C=C4)SC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[NH2+]CC4=CC=C(C=C4)SC)C

InChI

InChI=1S/C20H29NS/c1-18-8-16-9-19(2,12-18)14-20(10-16,13-18)21-11-15-4-6-17(22-3)7-5-15/h4-7,16,21H,8-14H2,1-3H3/p+1/t16?,18-,19+,20?