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

Systemtic Name: 2-[2-(heptadecylcarbamoyloxy)ethylsulfanyl]ethyl N-ethoxycarbonyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: 2-[2-(heptadecylcarbamoyloxy)ethylsulfanyl]ethyl N-ethoxycarbonyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-ethoxycarbonyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid 2-[2-[(heptadecylamino)-oxomethoxy]ethylthio]ethyl ester iodide IUPAC Name: 2-[2-(heptadecylcarbamoyloxy)ethylsulfanyl]ethyl N-ethoxycarbonyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-carbethoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid 2-[2-(heptadecylcarbamoyloxy)ethylthio]ethyl ester iodide Formula: C34H60IN3O6S MolecularWeight: 765.82617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H59N3O6S.HI/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-35-32(38)42-26-28-44-29-27-43-34(40)37(33(39)41-6-3)30-31-23-20-22-25-36(31)5-2;/h20,22-23,25H,4-19,21,24,26-30H2,1-3H3;1H