[2-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl N-[1-(1-ethylpyridin-1-ium-2-yl)-2-oxidanylidene-2-phenyl-ethyl]carbamate

Systemtic Name: [2-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl N-[1-(1-ethylpyridin-1-ium-2-yl)-2-oxidanylidene-2-phenyl-ethyl]carbamate Openeye Name: [2-(octadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl N-[1-(1-ethylpyridin-1-ium-2-yl)-2-oxo-2-phenyl-ethyl]carbamate CAS Name: N-[1-(1-ethyl-2-pyridin-1-iumyl)-2-oxo-2-phenylethyl]carbamic acid [2-[[(octadecylamino)-oxomethoxy]methyl]-2-oxolanyl]methyl ester IUPAC Name: [2-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl N-[1-(1-ethylpyridin-1-ium-2-yl)-2-oxo-2-phenylethyl]carbamate Traditional Name: N-[1-(1-ethylpyridin-1-ium-2-yl)-2-keto-2-phenyl-ethyl]carbamic acid [2-(stearylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C41H64N3O6+ MolecularWeight: 694.96336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCO1)COC(=O)NC(C2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCO1)COC(=O)NC(C2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C41H63N3O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-42-39(46)48-33-41(29-25-32-50-41)34-49-40(47)43-37(36-28-22-24-31-44(36)4-2)38(45)35-26-20-19-21-27-35/h19-22,24,26-28,31,37H,3-18,23,25,29-30,32-34H2,1-2H3,(H-,42,43,46,47)/p+1