[2-[2-carbamothioyl-2-(1-methyl-2H-pyridin-5-yl)cyclohexyl]oxy-2-oxidanylidene-ethyl]-trimethyl-azanium chloride

Systemtic Name: [2-[2-carbamothioyl-2-(1-methyl-2H-pyridin-5-yl)cyclohexyl]oxy-2-oxidanylidene-ethyl]-trimethyl-azanium chloride Openeye Name: [2-[2-carbamothioyl-2-(1-methyl-2H-pyridin-5-yl)cyclohexoxy]-2-oxo-ethyl]-trimethyl-ammonium chloride CAS Name: [2-[2-carbamothioyl-2-(1-methyl-2H-pyridin-5-yl)cyclohexyl]oxy-2-oxoethyl]-trimethylammonium chloride IUPAC Name: [2-[2-carbamothioyl-2-(1-methyl-2H-pyridin-5-yl)cyclohexyl]oxy-2-oxoethyl]-trimethylazanium chloride Traditional Name: [2-keto-2-[2-(1-methyl-2H-pyridin-5-yl)-2-thiocarbamoyl-cyclohexoxy]ethyl]-trimethyl-ammonium chloride Formula: C18H30ClN3O2S MolecularWeight: 387.9677

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=CC(=C1)C2(CCCCC2OC(=O)C[N+](C)(C)C)C(=S)N.[Cl-]

Isomeric SMILES

CN1CC=CC(=C1)C2(CCCCC2OC(=O)C[N+](C)(C)C)C(=S)N.[Cl-]

InChI

InChI=1S/C18H29N3O2S.ClH/c1-20-11-7-8-14(12-20)18(17(19)24)10-6-5-9-15(18)23-16(22)13-21(2,3)4;/h7-8,12,15H,5-6,9-11,13H2,1-4H3,(H-,19,24);1H