1-[5-azanyl-2-ethanoyl-3-(4-hexadecoxyphenoxy)-1,6-dimethyl-pyridin-1-ium-4-yl]ethanone iodide

Systemtic Name: 1-[5-azanyl-2-ethanoyl-3-(4-hexadecoxyphenoxy)-1,6-dimethyl-pyridin-1-ium-4-yl]ethanone iodide Openeye Name: 1-[2-acetyl-5-amino-3-(4-hexadecoxyphenoxy)-1,6-dimethyl-pyridin-1-ium-4-yl]ethanone iodide CAS Name: 1-[2-acetyl-5-amino-3-(4-hexadecoxyphenoxy)-1,6-dimethyl-4-pyridin-1-iumyl]ethanone iodide IUPAC Name: 1-[2-acetyl-5-amino-3-(4-hexadecoxyphenoxy)-1,6-dimethylpyridin-1-ium-4-yl]ethanone iodide Traditional Name: 1-[2-acetyl-5-amino-3-(4-cetyloxyphenoxy)-1,6-dimethyl-pyridin-1-ium-4-yl]ethanone iodide Formula: C33H51IN2O4 MolecularWeight: 666.67351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OC2=C([N+](=C(C(=C2C(=O)C)N)C)C)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OC2=C([N+](=C(C(=C2C(=O)C)N)C)C)C(=O)C.[I-]

InChI

InChI=1S/C33H50N2O4.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-38-28-20-22-29(23-21-28)39-33-30(26(3)36)31(34)25(2)35(5)32(33)27(4)37;/h20-23H,6-19,24H2,1-5H3,(H-,34,36,37);1H