[4-[(1R,2R)-2-carbamothioyl-2-(1-methyl-2H-pyridin-5-yl)cyclohexyl]oxy-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [4-[(1R,2R)-2-carbamothioyl-2-(1-methyl-2H-pyridin-5-yl)cyclohexyl]oxy-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [4-[(1R,2R)-2-carbamothioyl-2-(1-methyl-2H-pyridin-5-yl)cyclohexoxy]-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-[(1R,2R)-2-carbamothioyl-2-(1-methyl-2H-pyridin-5-yl)cyclohexyl]oxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-[(1R,2R)-2-carbamothioyl-2-(1-methyl-2H-pyridin-5-yl)cyclohexyl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [4-keto-4-[(1R,2R)-2-(1-methyl-2H-pyridin-5-yl)-2-thiocarbamoyl-cyclohexoxy]butyl]-trimethyl-ammonium Formula: C20H34N3O2S+ MolecularWeight: 380.56786

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=CC(=C1)C2(CCCCC2OC(=O)CCC[N+](C)(C)C)C(=S)N

Isomeric SMILES

CN1CC=CC(=C1)[C@@]2(CCCC[C@H]2OC(=O)CCC[N+](C)(C)C)C(=S)N

InChI

InChI=1S/C20H33N3O2S/c1-22-13-7-9-16(15-22)20(19(21)26)12-6-5-10-17(20)25-18(24)11-8-14-23(2,3)4/h7,9,15,17H,5-6,8,10-14H2,1-4H3,(H-,21,26)/p+1/t17-,20-/m1/s1