2-[2-(pentadecylcarbamoyloxy)ethoxy]ethyl N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: 2-[2-(pentadecylcarbamoyloxy)ethoxy]ethyl N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: 2-[2-(pentadecylcarbamoyloxy)ethoxy]ethyl N-acetyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]carbamic acid 2-[2-[oxo-(pentadecylamino)methoxy]ethoxy]ethyl ester iodide IUPAC Name: 2-[2-(pentadecylcarbamoyloxy)ethoxy]ethyl N-acetyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamic acid 2-[2-(pentadecylcarbamoyloxy)ethoxy]ethyl ester iodide Formula: C32H56IN3O6 MolecularWeight: 705.70801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCNC(=O)OCCOCCOC(=O)N(CC1=CC=CC=[N+]1CCC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCNC(=O)OCCOCCOC(=O)N(CC1=CC=CC=[N+]1CCC)C(=O)C.[I-]

InChI

InChI=1S/C32H55N3O6.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21-33-31(37)40-26-24-39-25-27-41-32(38)35(29(3)36)28-30-20-17-19-23-34(30)22-5-2;/h17,19-20,23H,4-16,18,21-22,24-28H2,1-3H3;1H