methyl N-[[1-ethyl-3-[2-(octadecylcarbamoyloxymethyl)thietan-3-yl]pyridin-1-ium-2-yl]methyl]carbamate

Systemtic Name: methyl N-[[1-ethyl-3-[2-(octadecylcarbamoyloxymethyl)thietan-3-yl]pyridin-1-ium-2-yl]methyl]carbamate Openeye Name: methyl N-[[1-ethyl-3-[2-(octadecylcarbamoyloxymethyl)thietan-3-yl]pyridin-1-ium-2-yl]methyl]carbamate CAS Name: N-[[1-ethyl-3-[2-[[(octadecylamino)-oxomethoxy]methyl]-3-thietanyl]-2-pyridin-1-iumyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[1-ethyl-3-[2-(octadecylcarbamoyloxymethyl)thietan-3-yl]pyridin-1-ium-2-yl]methyl]carbamate Traditional Name: N-[[1-ethyl-3-[2-(stearylcarbamoyloxymethyl)thietan-3-yl]pyridin-1-ium-2-yl]methyl]carbamic acid methyl ester Formula: C33H58N3O4S+ MolecularWeight: 592.89632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1C(CS1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1C(CS1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

InChI

InChI=1S/C33H57N3O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-33(38)40-26-31-29(27-41-31)28-22-21-24-36(5-2)30(28)25-35-32(37)39-3/h21-22,24,29,31H,4-20,23,25-27H2,1-3H3,(H-,34,35,37,38)/p+1