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

Systemtic Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)-3,4-di(tetradecoxy)benzamide iodide Openeye Name: N-benzoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide CAS Name: N-benzoyl-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-3,4-di(tetradecoxy)benzamide iodide IUPAC Name: N-benzoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide Traditional Name: N-benzoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-3,4-dimyristyloxy-benzamide iodide Formula: C49H75IN2O4 MolecularWeight: 883.03527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3)OCCCCCCCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3)OCCCCCCCCCCCCCC.[I-]

InChI

InChI=1S/C49H75N2O4.HI/c1-4-6-8-10-12-14-16-18-20-22-24-31-39-54-46-37-36-44(41-47(46)55-40-32-25-23-21-19-17-15-13-11-9-7-5-2)49(53)51(42-45-35-29-30-38-50(45)3)48(52)43-33-27-26-28-34-43;/h26-30,33-38,41H,4-25,31-32,39-40,42H2,1-3H3;1H/q+1;/p-1