[azanyl-[2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl]sulfanyl-methylidene]azanium

Systemtic Name: [azanyl-[2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl]sulfanyl-methylidene]azanium Openeye Name: [amino-[2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl]sulfanyl-methylene]ammonium CAS Name: [amino-[[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]thio]methylidene]ammonium IUPAC Name: [amino-[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]sulfanylmethylidene]azanium Traditional Name: [amino-[[2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl]thio]methylene]ammonium Formula: C13H25N2O2S+ MolecularWeight: 273.4148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC(=[NH2+])N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)CSC(=[NH2+])N)C(C)C

InChI

InChI=1S/C13H24N2O2S/c1-8(2)10-5-4-9(3)6-11(10)17-12(16)7-18-13(14)15/h8-11H,4-7H2,1-3H3,(H3,14,15)/p+1/t9-,10-,11+/m1/s1