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

Systemtic Name: 2-[2-(pentadecylcarbamoyloxy)ethoxy]ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: 2-[2-(pentadecylcarbamoyloxy)ethoxy]ethyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-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-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid 2-[2-(pentadecylcarbamoyloxy)ethoxy]ethyl ester iodide Formula: C31H54IN3O6 MolecularWeight: 691.68143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H53N3O6.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21-32-30(36)39-25-23-38-24-26-40-31(37)34(28(3)35)27-29-20-17-19-22-33(29)5-2;/h17,19-20,22H,4-16,18,21,23-27H2,1-3H3;1H