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

Systemtic Name: methyl N-[1-ethyl-3-[2-(octadecylcarbamoyloxymethyl)thietan-2-yl]pyridin-1-ium-2-yl]carbamate chloride Openeye Name: methyl N-[1-ethyl-3-[2-(octadecylcarbamoyloxymethyl)thietan-2-yl]pyridin-1-ium-2-yl]carbamate chloride CAS Name: N-[1-ethyl-3-[2-[[(octadecylamino)-oxomethoxy]methyl]-2-thietanyl]-2-pyridin-1-iumyl]carbamic acid methyl ester chloride IUPAC Name: methyl N-[1-ethyl-3-[2-(octadecylcarbamoyloxymethyl)thietan-2-yl]pyridin-1-ium-2-yl]carbamate chloride Traditional Name: N-[1-ethyl-3-[2-(stearylcarbamoyloxymethyl)thietan-2-yl]pyridin-1-ium-2-yl]carbamic acid methyl ester chloride Formula: C32H56ClN3O4S MolecularWeight: 614.32274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H55N3O4S.ClH/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);1H