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

Systemtic Name: [4-(octadecoxymethyl)oxolan-2-yl]methyl N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: [4-(octadecoxymethyl)tetrahydrofuran-2-yl]methyl N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-methyl-N-[(1-methyl-2-pyridin-1-iumyl)methyl]carbamic acid [4-(octadecoxymethyl)-2-oxolanyl]methyl ester iodide IUPAC Name: [4-(octadecoxymethyl)oxolan-2-yl]methyl N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamic acid [4-(stearyloxymethyl)tetrahydrofuran-2-yl]methyl ester iodide Formula: C33H59IN2O4 MolecularWeight: 674.73703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(C)CC2=CC=CC=[N+]2C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)N(C)CC2=CC=CC=[N+]2C.[I-]

InChI

InChI=1S/C33H59N2O4.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-37-27-30-25-32(38-28-30)29-39-33(36)35(3)26-31-22-19-20-23-34(31)2;/h19-20,22-23,30,32H,4-18,21,24-29H2,1-3H3;1H/q+1;/p-1