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

Systemtic Name: 2-(2-hexadecoxyethylsulfanyl)ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: 2-(2-hexadecoxyethylsulfanyl)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-hexadecoxyethylthio)ethyl ester iodide IUPAC Name: 2-(2-hexadecoxyethylsulfanyl)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-cetyloxyethylthio)ethyl ester iodide Formula: C31H55IN2O4S MolecularWeight: 678.74887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H55N2O4S.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-36-24-26-38-27-25-37-31(35)33(29(3)34)28-30-21-18-19-22-32(30)5-2;/h18-19,21-22H,4-17,20,23-28H2,1-3H3;1H/q+1;/p-1