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

Systemtic Name: 3-(octadecylcarbamoyloxy)propyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: 3-(octadecylcarbamoyloxy)propyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid 3-[(octadecylamino)-oxomethoxy]propyl ester iodide IUPAC Name: 3-(octadecylcarbamoyloxy)propyl N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid 3-(stearylcarbamoyloxy)propyl ester iodide Formula: C31H56IN3O4 MolecularWeight: 661.69851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCCCOC(=O)NCC1=CC=CC=[N+]1CC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCCCOC(=O)NCC1=CC=CC=[N+]1CC.[I-]

InChI

InChI=1S/C31H55N3O4.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-32-30(35)37-26-22-27-38-31(36)33-28-29-23-19-21-25-34(29)4-2;/h19,21,23,25H,3-18,20,22,24,26-28H2,1-2H3,(H-,32,33,35,36);1H