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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCS1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCS1)C2=C([N+](=CC=C2)CC)CNC(=O)OC

InChI

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