3-[(1-ethylpyridin-1-ium-2-yl)methyl-(2-methoxyphenyl)carbonyl-carbamoyl]oxypropyl 2-methoxy-3-(octadecan-4-ylcarbamoyloxy)piperidine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCC)NC(=O)OC1CCCN(C1OC)C(=O)OCCCOC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC

Isomeric SMILES

CCCCCCCCCCCCCCC(CCC)NC(=O)OC1CCCN(C1OC)C(=O)OCCCOC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C46H72N4O9/c1-6-9-10-11-12-13-14-15-16-17-18-19-27-37(26-7-2)47-44(52)59-41-31-24-33-49(43(41)56-5)45(53)57-34-25-35-58-46(54)50(36-38-28-22-23-32-48(38)8-3)42(51)39-29-20-21-30-40(39)55-4/h20-23,28-30,32,37,41,43H,6-19,24-27,31,33-36H2,1-5H3/p+1