N-ethanoyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-3,4-di(tetradecoxy)benzamide iodide

Systemtic Name: N-ethanoyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-3,4-di(tetradecoxy)benzamide iodide Openeye Name: N-acetyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-3,4-di(tetradecoxy)benzamide iodide CAS Name: N-acetyl-N-[3-(1-methyl-2-pyridin-1-iumyl)propyl]-3,4-di(tetradecoxy)benzamide iodide IUPAC Name: N-acetyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-3,4-di(tetradecoxy)benzamide iodide Traditional Name: N-acetyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-3,4-dimyristyloxy-benzamide iodide Formula: C46H77IN2O4 MolecularWeight: 849.01905

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2C)C(=O)C)OCCCCCCCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2C)C(=O)C)OCCCCCCCCCCCCCC.[I-]

InChI

InChI=1S/C46H77N2O4.HI/c1-5-7-9-11-13-15-17-19-21-23-25-29-38-51-44-35-34-42(46(50)48(41(3)49)37-31-33-43-32-27-28-36-47(43)4)40-45(44)52-39-30-26-24-22-20-18-16-14-12-10-8-6-2;/h27-28,32,34-36,40H,5-26,29-31,33,37-39H2,1-4H3;1H/q+1;/p-1