[5-(octadecoxymethyl)oxolan-3-yl]methyl N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: [5-(octadecoxymethyl)oxolan-3-yl]methyl N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: [5-(octadecoxymethyl)tetrahydrofuran-3-yl]methyl N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-[(1-methyl-2-pyridin-1-iumyl)methyl]carbamic acid [5-(octadecoxymethyl)-3-oxolanyl]methyl ester iodide IUPAC Name: [5-(octadecoxymethyl)oxolan-3-yl]methyl N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamic acid [5-(stearyloxymethyl)tetrahydrofuran-3-yl]methyl ester iodide Formula: C32H57IN2O4 MolecularWeight: 660.71045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COC(=O)NCC2=CC=CC=[N+]2C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COC(=O)NCC2=CC=CC=[N+]2C.[I-]

InChI

InChI=1S/C32H56N2O4.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-36-28-31-24-29(26-37-31)27-38-32(35)33-25-30-21-18-19-22-34(30)2;/h18-19,21-22,29,31H,3-17,20,23-28H2,1-2H3;1H