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

Systemtic Name: 5-(pentadecylcarbamoyloxy)pentyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: 5-(pentadecylcarbamoyloxy)pentyl 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 5-[oxo-(pentadecylamino)methoxy]pentyl ester iodide IUPAC Name: 5-(pentadecylcarbamoyloxy)pentyl 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 5-(pentadecylcarbamoyloxy)pentyl ester iodide Formula: C32H56IN3O5 MolecularWeight: 689.70861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H55N3O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-24-33-31(37)39-26-21-17-22-27-40-32(38)35(29(3)36)28-30-23-18-20-25-34(30)5-2;/h18,20,23,25H,4-17,19,21-22,24,26-28H2,1-3H3;1H