3-(6-aminocarbonyl-1,5-diethyl-4-imidazolidin-1-yl-pyridin-1-ium-3-yl)propyl N-(2-methoxyoctadecan-3-yl)carbamate iodide

Systemtic Name: 3-(6-aminocarbonyl-1,5-diethyl-4-imidazolidin-1-yl-pyridin-1-ium-3-yl)propyl N-(2-methoxyoctadecan-3-yl)carbamate iodide Openeye Name: 3-(6-carbamoyl-1,5-diethyl-4-imidazolidin-1-yl-pyridin-1-ium-3-yl)propyl N-[1-(1-methoxyethyl)hexadecyl]carbamate iodide CAS Name: N-(2-methoxyoctadecan-3-yl)carbamic acid 3-[6-carbamoyl-1,5-diethyl-4-(1-imidazolidinyl)-3-pyridin-1-iumyl]propyl ester iodide IUPAC Name: 3-(6-carbamoyl-1,5-diethyl-4-imidazolidin-1-ylpyridin-1-ium-3-yl)propyl N-(2-methoxyoctadecan-3-yl)carbamate iodide Traditional Name: N-[1-(1-methoxyethyl)hexadecyl]carbamic acid 3-(6-carbamoyl-1,5-diethyl-4-imidazolidin-1-yl-pyridin-1-ium-3-yl)propyl ester iodide Formula: C36H66IN5O4 MolecularWeight: 759.84481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)OC)NC(=O)OCCCC1=C[N+](=C(C(=C1N2CCNC2)CC)C(=O)N)CC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C)OC)NC(=O)OCCCC1=C[N+](=C(C(=C1N2CCNC2)CC)C(=O)N)CC.[I-]

InChI

InChI=1S/C36H65N5O4.HI/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-23-32(29(4)44-5)39-36(43)45-26-21-22-30-27-40(8-3)34(35(37)42)31(7-2)33(30)41-25-24-38-28-41;/h27,29,32,38H,6-26,28H2,1-5H3,(H2-,37,39,42,43);1H