methyl N-[[1-ethyl-3-[1-(hexadecylcarbamoyloxymethyl)cyclopentyl]pyridin-1-ium-2-yl]methyl]carbamate iodide

Systemtic Name: methyl N-[[1-ethyl-3-[1-(hexadecylcarbamoyloxymethyl)cyclopentyl]pyridin-1-ium-2-yl]methyl]carbamate iodide Openeye Name: methyl N-[[1-ethyl-3-[1-(hexadecylcarbamoyloxymethyl)cyclopentyl]pyridin-1-ium-2-yl]methyl]carbamate iodide CAS Name: N-[[1-ethyl-3-[1-[[(hexadecylamino)-oxomethoxy]methyl]cyclopentyl]-2-pyridin-1-iumyl]methyl]carbamic acid methyl ester iodide IUPAC Name: methyl N-[[1-ethyl-3-[1-(hexadecylcarbamoyloxymethyl)cyclopentyl]pyridin-1-ium-2-yl]methyl]carbamate iodide Traditional Name: N-cetylcarbamic acid [1-[2-[(carbomethoxyamino)methyl]-1-ethyl-pyridin-1-ium-3-yl]cyclopentyl]methyl ester iodide Formula: C33H58IN3O4 MolecularWeight: 687.73579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)C2=C([N+](=CC=C2)CC)CNC(=O)OC.[I-]

InChI

InChI=1S/C33H57N3O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25-34-32(38)40-28-33(23-18-19-24-33)29-22-21-26-36(5-2)30(29)27-35-31(37)39-3;/h21-22,26H,4-20,23-25,27-28H2,1-3H3,(H-,34,35,37,38);1H