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

Systemtic Name: methyl N-[1-ethyl-3-[2-(octadecylcarbamoyloxymethyl)thietan-2-yl]pyridin-1-ium-2-yl]carbamate Openeye Name: methyl N-[1-ethyl-3-[2-(octadecylcarbamoyloxymethyl)thietan-2-yl]pyridin-1-ium-2-yl]carbamate CAS Name: N-[1-ethyl-3-[2-[[(octadecylamino)-oxomethoxy]methyl]-2-thietanyl]-2-pyridin-1-iumyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-ethyl-3-[2-(octadecylcarbamoyloxymethyl)thietan-2-yl]pyridin-1-ium-2-yl]carbamate Traditional Name: N-[1-ethyl-3-[2-(stearylcarbamoyloxymethyl)thietan-2-yl]pyridin-1-ium-2-yl]carbamic acid methyl ester Formula: C32H56N3O4S+ MolecularWeight: 578.86974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H55N3O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-30(36)39-27-32(23-26-40-32)28-22-21-25-35(5-2)29(28)34-31(37)38-3/h21-22,25H,4-20,23-24,26-27H2,1-3H3,(H,33,36)/p+1