(5-octadecoxyoxolan-3-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride

Systemtic Name: (5-octadecoxyoxolan-3-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride Openeye Name: (5-octadecoxytetrahydrofuran-3-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid (5-octadecoxy-3-oxolanyl)methyl ester chloride IUPAC Name: (5-octadecoxyoxolan-3-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid (5-stearyloxytetrahydrofuran-3-yl)methyl ester chloride Formula: C34H59ClN2O5 MolecularWeight: 611.29566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1CC(CO1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1CC(CO1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[Cl-]

InChI

InChI=1S/C34H59N2O5.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-39-33-26-31(28-40-33)29-41-34(38)36(30(3)37)27-32-23-20-21-24-35(32)5-2;/h20-21,23-24,31,33H,4-19,22,25-29H2,1-3H3;1H/q+1;/p-1