[3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxyphenyl)carbonyl-carbamoyl]oxy-2-methoxy-propyl] 4-octadecanoylpiperazine-1-carboxylate iodide

Systemtic Name: [3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxyphenyl)carbonyl-carbamoyl]oxy-2-methoxy-propyl] 4-octadecanoylpiperazine-1-carboxylate iodide Openeye Name: [3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxybenzoyl)carbamoyl]oxy-2-methoxy-propyl] 4-octadecanoylpiperazine-1-carboxylate iodide CAS Name: 4-(1-oxooctadecyl)-1-piperazinecarboxylic acid [3-[[(1-ethyl-2-pyridin-1-iumyl)methyl-[(2-methoxyphenyl)-oxomethyl]amino]-oxomethoxy]-2-methoxypropyl] ester iodide IUPAC Name: [3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxybenzoyl)carbamoyl]oxy-2-methoxypropyl] 4-octadecanoylpiperazine-1-carboxylate iodide Traditional Name: 4-stearoylpiperazine-1-carboxylic acid [3-[(1-ethylpyridin-1-ium-2-yl)methyl-o-anisoyl-carbamoyl]oxy-2-methoxy-propyl] ester iodide Formula: C44H69IN4O8 MolecularWeight: 908.94513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OCC(COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OCC(COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OC.[I-]

InChI

InChI=1S/C44H69N4O8.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-41(49)46-30-32-47(33-31-46)43(51)55-35-38(53-3)36-56-44(52)48(34-37-25-23-24-29-45(37)6-2)42(50)39-26-21-22-27-40(39)54-4;/h21-27,29,38H,5-20,28,30-36H2,1-4H3;1H/q+1;/p-1