[(2R)-5-methylhexan-2-yl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(2R)-5-methylhexan-2-yl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(1R)-1,4-dimethylpentyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2R)-5-methylhexan-2-yl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2R)-5-methylhexan-2-yl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-1,4-dimethylpentyl]-[4-(methylthio)benzyl]ammonium Formula: C15H26NS+ MolecularWeight: 252.43864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NS/c1-12(2)5-6-13(3)16-11-14-7-9-15(17-4)10-8-14/h7-10,12-13,16H,5-6,11H2,1-4H3/p+1/t13-/m1/s1