2-(2-octadecoxyethylsulfanyl)ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: 2-(2-octadecoxyethylsulfanyl)ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: 2-(2-octadecoxyethylsulfanyl)ethyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid 2-(2-octadecoxyethylthio)ethyl ester iodide IUPAC Name: 2-(2-octadecoxyethylsulfanyl)ethyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid 2-(2-stearyloxyethylthio)ethyl ester iodide Formula: C33H59IN2O4S MolecularWeight: 706.80203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCSCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCSCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C.[I-]

InChI

InChI=1S/C33H59N2O4S.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-38-26-28-40-29-27-39-33(37)35(31(3)36)30-32-23-20-21-24-34(32)5-2;/h20-21,23-24H,4-19,22,25-30H2,1-3H3;1H/q+1;/p-1