1-[5-azanyl-4-[3,4-di(tetradecoxy)phenyl]carbonyl-1,6-dimethyl-pyridin-1-ium-3-yl]ethanone iodide

Systemtic Name: 1-[5-azanyl-4-[3,4-di(tetradecoxy)phenyl]carbonyl-1,6-dimethyl-pyridin-1-ium-3-yl]ethanone iodide Openeye Name: 1-[5-amino-4-[3,4-di(tetradecoxy)benzoyl]-1,6-dimethyl-pyridin-1-ium-3-yl]ethanone iodide CAS Name: 1-[5-amino-4-[[3,4-di(tetradecoxy)phenyl]-oxomethyl]-1,6-dimethyl-3-pyridin-1-iumyl]ethanone iodide IUPAC Name: 1-[5-amino-4-[3,4-di(tetradecoxy)benzoyl]-1,6-dimethylpyridin-1-ium-3-yl]ethanone iodide Traditional Name: 1-[5-amino-4-(3,4-dimyristyloxybenzoyl)-1,6-dimethyl-pyridin-1-ium-3-yl]ethanone iodide Formula: C44H73IN2O4 MolecularWeight: 820.96589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=C(C(=[N+](C=C2C(=O)C)C)C)N)OCCCCCCCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=C(C(=[N+](C=C2C(=O)C)C)C)N)OCCCCCCCCCCCCCC.[I-]

InChI

InChI=1S/C44H72N2O4.HI/c1-6-8-10-12-14-16-18-20-22-24-26-28-32-49-40-31-30-38(44(48)42-39(37(4)47)35-46(5)36(3)43(42)45)34-41(40)50-33-29-27-25-23-21-19-17-15-13-11-9-7-2;/h30-31,34-35H,6-29,32-33H2,1-5H3,(H-,45,48);1H