[2-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl N-ethanoyl-N-[5-(1-ethylpyridin-1-ium-2-yl)pentyl]carbamate

Systemtic Name: [2-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl N-ethanoyl-N-[5-(1-ethylpyridin-1-ium-2-yl)pentyl]carbamate Openeye Name: [2-(octadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl N-acetyl-N-[5-(1-ethylpyridin-1-ium-2-yl)pentyl]carbamate CAS Name: N-acetyl-N-[5-(1-ethyl-2-pyridin-1-iumyl)pentyl]carbamic acid [2-[[(octadecylamino)-oxomethoxy]methyl]-2-oxolanyl]methyl ester IUPAC Name: [2-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl N-acetyl-N-[5-(1-ethylpyridin-1-ium-2-yl)pentyl]carbamate Traditional Name: N-acetyl-N-[5-(1-ethylpyridin-1-ium-2-yl)pentyl]carbamic acid [2-(stearylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C40H70N3O6+ MolecularWeight: 689.0003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCO1)COC(=O)N(CCCCCC2=CC=CC=[N+]2CC)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCO1)COC(=O)N(CCCCCC2=CC=CC=[N+]2CC)C(=O)C

InChI

InChI=1S/C40H69N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-41-38(45)47-34-40(29-26-33-49-40)35-48-39(46)43(36(3)44)32-24-20-21-27-37-28-22-25-31-42(37)5-2/h22,25,28,31H,4-21,23-24,26-27,29-30,32-35H2,1-3H3/p+1