[5-(pyridin-1-ium-2-ylmethylcarbamoyloxymethyl)oxolan-3-yl]methyl N-heptadecylcarbamate iodide

Systemtic Name: [5-(pyridin-1-ium-2-ylmethylcarbamoyloxymethyl)oxolan-3-yl]methyl N-heptadecylcarbamate iodide Openeye Name: [5-(pyridin-1-ium-2-ylmethylcarbamoyloxymethyl)tetrahydrofuran-3-yl]methyl N-heptadecylcarbamate iodide CAS Name: N-heptadecylcarbamic acid [5-[[oxo-(2-pyridin-1-iumylmethylamino)methoxy]methyl]-3-oxolanyl]methyl ester iodide IUPAC Name: [5-(pyridin-1-ium-2-ylmethylcarbamoyloxymethyl)oxolan-3-yl]methyl N-heptadecylcarbamate iodide Traditional Name: N-heptadecylcarbamic acid [5-(pyridin-1-ium-2-ylmethylcarbamoyloxymethyl)tetrahydrofuran-3-yl]methyl ester iodide Formula: C31H54IN3O5 MolecularWeight: 675.68203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)COC(=O)NCC2=CC=CC=[NH+]2.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)COC(=O)NCC2=CC=CC=[NH+]2.[I-]

InChI

InChI=1S/C31H53N3O5.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-33-30(35)38-25-27-22-29(37-24-27)26-39-31(36)34-23-28-19-16-18-20-32-28;/h16,18-20,27,29H,2-15,17,21-26H2,1H3,(H,33,35)(H,34,36);1H