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

Systemtic Name: methyl N-[[1-ethyl-3-[2-(hexadecylcarbamoyloxymethyl)thietan-2-yl]pyridin-1-ium-2-yl]methyl]carbamate Openeye Name: methyl N-[[1-ethyl-3-[2-(hexadecylcarbamoyloxymethyl)thietan-2-yl]pyridin-1-ium-2-yl]methyl]carbamate CAS Name: N-[[1-ethyl-3-[2-[[(hexadecylamino)-oxomethoxy]methyl]-2-thietanyl]-2-pyridin-1-iumyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[1-ethyl-3-[2-(hexadecylcarbamoyloxymethyl)thietan-2-yl]pyridin-1-ium-2-yl]methyl]carbamate Traditional Name: N-cetylcarbamic acid [2-[2-[(carbomethoxyamino)methyl]-1-ethyl-pyridin-1-ium-3-yl]thietan-2-yl]methyl ester Formula: C31H54N3O4S+ MolecularWeight: 564.84316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H53N3O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-30(36)38-26-31(21-24-39-31)27-20-19-23-34(5-2)28(27)25-33-29(35)37-3/h19-20,23H,4-18,21-22,24-26H2,1-3H3,(H-,32,33,35,36)/p+1