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

Systemtic Name: 2-[2-(heptadecylcarbamoyloxy)ethylsulfanyl]ethyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-hexadecanoyl-carbamate iodide Openeye Name: 2-[2-(heptadecylcarbamoyloxy)ethylsulfanyl]ethyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-hexadecanoyl-carbamate iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-N-(1-oxohexadecyl)carbamic acid 2-[2-[(heptadecylamino)-oxomethoxy]ethylthio]ethyl ester iodide IUPAC Name: 2-[2-(heptadecylcarbamoyloxy)ethylsulfanyl]ethyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-hexadecanoylcarbamate iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-hexadecanoyl-carbamic acid 2-[2-(heptadecylcarbamoyloxy)ethylthio]ethyl ester iodide Formula: C47H86IN3O5S MolecularWeight: 932.17231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H85N3O5S.HI/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-33-37-48-46(52)54-39-41-56-42-40-55-47(53)50(43-44-35-32-34-38-49(44)6-3)45(51)36-31-29-27-25-23-21-18-16-14-12-10-8-5-2;/h32,34-35,38H,4-31,33,36-37,39-43H2,1-3H3;1H