diethanoyl-[2-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxymethyl]oxan-3-yl]sulfanylcarbonyl-heptadecyl-azanium chloride

Systemtic Name: diethanoyl-[2-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxymethyl]oxan-3-yl]sulfanylcarbonyl-heptadecyl-azanium chloride Openeye Name: diacetyl-[2-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxymethyl]tetrahydropyran-3-yl]sulfanylcarbonyl-heptadecyl-ammonium chloride CAS Name: diacetyl-[[[2-[[[(1-ethyl-2-pyridin-1-iumyl)methylamino]-oxomethoxy]methyl]-3-oxanyl]thio]-oxomethyl]-heptadecylammonium chloride IUPAC Name: diacetyl-[2-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxymethyl]oxan-3-yl]sulfanylcarbonyl-heptadecylazanium chloride Traditional Name: diacetyl-[[2-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxymethyl]tetrahydropyran-3-yl]thio]carbonyl-heptadecyl-ammonium chloride Formula: C37H63ClN3O6S+ MolecularWeight: 713.43062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC[N+](C(=O)C)(C(=O)C)C(=O)SC1CCCOC1COC(=O)NCC2=CC=CC=[N+]2CC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC[N+](C(=O)C)(C(=O)C)C(=O)SC1CCCOC1COC(=O)NCC2=CC=CC=[N+]2CC.[Cl-]

InChI

InChI=1S/C37H62N3O6S.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-40(31(3)41,32(4)42)37(44)47-35-25-23-28-45-34(35)30-46-36(43)38-29-33-24-20-21-26-39(33)6-2;/h20-21,24,26,34-35H,5-19,22-23,25,27-30H2,1-4H3;1H/q+1;