[3-(hexadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride

Systemtic Name: [3-(hexadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride Openeye Name: [3-(hexadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid [3-[[(hexadecylamino)-oxomethoxy]methyl]-2-thietanyl]methyl ester chloride IUPAC Name: [3-(hexadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid [3-(cetylcarbamoyloxymethyl)thietan-2-yl]methyl ester chloride Formula: C33H56ClN3O5S MolecularWeight: 642.33284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)OCC1CSC1COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[Cl-]

InChI

InChI=1S/C33H55N3O5S.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-22-34-32(38)40-25-29-27-42-31(29)26-41-33(39)36(28(3)37)24-30-21-18-20-23-35(30)5-2;/h18,20-21,23,29,31H,4-17,19,22,24-27H2,1-3H3;1H