2-[2-methoxyoctadecan-3-ylcarbamoyloxy(propoxycarbonyl)amino]ethyl 1-ethylpyridin-1-ium-2-carboxylate iodide

Systemtic Name: 2-[2-methoxyoctadecan-3-ylcarbamoyloxy(propoxycarbonyl)amino]ethyl 1-ethylpyridin-1-ium-2-carboxylate iodide Openeye Name: 2-[1-(1-methoxyethyl)hexadecylcarbamoyloxy-propoxycarbonyl-amino]ethyl 1-ethylpyridin-1-ium-2-carboxylate iodide CAS Name: 1-ethyl-2-pyridin-1-iumcarboxylic acid 2-[[(2-methoxyoctadecan-3-ylamino)-oxomethoxy]-[oxo(propoxy)methyl]amino]ethyl ester iodide IUPAC Name: 2-[2-methoxyoctadecan-3-ylcarbamoyloxy(propoxycarbonyl)amino]ethyl 1-ethylpyridin-1-ium-2-carboxylate iodide Traditional Name: 1-ethylpyridin-1-ium-2-carboxylic acid 2-[1-(1-methoxyethyl)hexadecylcarbamoyloxy-propoxycarbonyl-amino]ethyl ester iodide Formula: C34H60IN3O7 MolecularWeight: 749.76057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)OC)NC(=O)ON(CCOC(=O)C1=CC=CC=[N+]1CC)C(=O)OCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C)OC)NC(=O)ON(CCOC(=O)C1=CC=CC=[N+]1CC)C(=O)OCCC.[I-]

InChI

InChI=1S/C34H59N3O7.HI/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-23-30(29(4)41-5)35-33(39)44-37(34(40)43-27-7-2)26-28-42-32(38)31-24-21-22-25-36(31)8-3;/h21-22,24-25,29-30H,6-20,23,26-28H2,1-5H3;1H