3-(octadecylcarbamoyloxy)propyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: 3-(octadecylcarbamoyloxy)propyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: 3-(octadecylcarbamoyloxy)propyl 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 3-[(octadecylamino)-oxomethoxy]propyl ester iodide IUPAC Name: 3-(octadecylcarbamoyloxy)propyl 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 3-(stearylcarbamoyloxy)propyl ester iodide Formula: C33H58IN3O5 MolecularWeight: 703.73519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C.[I-]

InChI

InChI=1S/C33H57N3O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-34-32(38)40-27-23-28-41-33(39)36(30(3)37)29-31-24-20-22-26-35(31)5-2;/h20,22,24,26H,4-19,21,23,25,27-29H2,1-3H3;1H