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

Systemtic Name: [3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxyphenyl)carbonyl-carbamoyl]oxy-2-methoxy-propyl] 4-(octadecylcarbamoyloxy)piperidine-1-carboxylate Openeye Name: [3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxybenzoyl)carbamoyl]oxy-2-methoxy-propyl] 4-(octadecylcarbamoyloxy)piperidine-1-carboxylate CAS Name: 4-[(octadecylamino)-oxomethoxy]-1-piperidinecarboxylic acid [3-[[(1-ethyl-2-pyridin-1-iumyl)methyl-[(2-methoxyphenyl)-oxomethyl]amino]-oxomethoxy]-2-methoxypropyl] ester IUPAC Name: [3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxybenzoyl)carbamoyl]oxy-2-methoxypropyl] 4-(octadecylcarbamoyloxy)piperidine-1-carboxylate Traditional Name: 4-(stearylcarbamoyloxy)piperidine-1-carboxylic acid [3-[(1-ethylpyridin-1-ium-2-yl)methyl-o-anisoyl-carbamoyl]oxy-2-methoxy-propyl] ester Formula: C46H73N4O9+ MolecularWeight: 826.09322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(CC1)C(=O)OCC(COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(CC1)C(=O)OCC(COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OC

InChI

InChI=1S/C46H72N4O9/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-47-44(52)59-39-29-33-49(34-30-39)45(53)57-36-40(55-3)37-58-46(54)50(35-38-26-23-25-32-48(38)6-2)43(51)41-27-21-22-28-42(41)56-4/h21-23,25-28,32,39-40H,5-20,24,29-31,33-37H2,1-4H3/p+1