[1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: [1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: [1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl 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-[[(octadecylamino)-oxomethoxy]methyl]cyclopentyl]methyl ester iodide IUPAC Name: [1-(octadecylcarbamoyloxymethyl)cyclopentyl]methyl 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-(stearylcarbamoyloxymethyl)cyclopentyl]methyl ester iodide Formula: C37H64IN3O5 MolecularWeight: 757.82563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C37H63N3O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-38-35(42)44-31-37(26-21-22-27-37)32-45-36(43)40(33(3)41)30-34-25-20-24-29-39(34)5-2;/h20,24-25,29H,4-19,21-23,26-28,30-32H2,1-3H3;1H