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

Systemtic Name: [1-(octadecylcarbamoyloxymethyl)cycloheptyl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: [1-(octadecylcarbamoyloxymethyl)cycloheptyl]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]cycloheptyl]methyl ester iodide IUPAC Name: [1-(octadecylcarbamoyloxymethyl)cycloheptyl]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)cycloheptyl]methyl ester iodide Formula: C39H68IN3O5 MolecularWeight: 785.87879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCCCC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCCCC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C39H67N3O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-30-40-37(44)46-33-39(28-23-19-20-24-29-39)34-47-38(45)42(35(3)43)32-36-27-22-26-31-41(36)5-2;/h22,26-27,31H,4-21,23-25,28-30,32-34H2,1-3H3;1H