[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H31N2OS+ MolecularWeight: 335.52724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C19H30N2OS/c1-15(19(22)20-13-16-7-5-4-6-8-16)21(2)14-17-9-11-18(23-3)12-10-17/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,20,22)/p+1/t15-/m1/s1