[2-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxymethyl]oxan-3-yl] N-ethanoyl-N-heptadecyl-carbamate chloride

Systemtic Name: [2-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxymethyl]oxan-3-yl] N-ethanoyl-N-heptadecyl-carbamate chloride Openeye Name: [2-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxymethyl]tetrahydropyran-3-yl] N-acetyl-N-heptadecyl-carbamate chloride CAS Name: N-acetyl-N-heptadecylcarbamic acid [2-[[[(1-ethyl-2-pyridin-1-iumyl)methylamino]-oxomethoxy]methyl]-3-oxanyl] ester chloride IUPAC Name: [2-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxymethyl]oxan-3-yl] N-acetyl-N-heptadecylcarbamate chloride Traditional Name: N-acetyl-N-heptadecyl-carbamic acid [2-[(1-ethylpyridin-1-ium-2-yl)methylcarbamoyloxymethyl]tetrahydropyran-3-yl] ester chloride Formula: C35H60ClN3O6 MolecularWeight: 654.3204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCN(C(=O)C)C(=O)OC1CCCOC1COC(=O)NCC2=CC=CC=[N+]2CC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCN(C(=O)C)C(=O)OC1CCCOC1COC(=O)NCC2=CC=CC=[N+]2CC.[Cl-]

InChI

InChI=1S/C35H59N3O6.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26-38(30(3)39)35(41)44-32-24-22-27-42-33(32)29-43-34(40)36-28-31-23-19-21-25-37(31)5-2;/h19,21,23,25,32-33H,4-18,20,22,24,26-29H2,1-3H3;1H