1-[2-(heptadecylcarbamoyloxy)ethylsulfanyl]ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: 1-[2-(heptadecylcarbamoyloxy)ethylsulfanyl]ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: 1-[2-(heptadecylcarbamoyloxy)ethylsulfanyl]ethyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid 1-[2-[(heptadecylamino)-oxomethoxy]ethylthio]ethyl ester iodide IUPAC Name: 1-[2-(heptadecylcarbamoyloxy)ethylsulfanyl]ethyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid 1-[2-(heptadecylcarbamoyloxy)ethylthio]ethyl ester iodide Formula: C33H58IN3O5S MolecularWeight: 735.80019

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCCSC(C)OC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCCSC(C)OC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C.[I-]

InChI

InChI=1S/C33H57N3O5S.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-34-32(38)40-26-27-42-30(4)41-33(39)36(29(3)37)28-31-23-20-22-25-35(31)6-2;/h20,22-23,25,30H,5-19,21,24,26-28H2,1-4H3;1H