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

Systemtic Name: N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide Openeye Name: N-acetyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide CAS Name: N-acetyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]-3,4-di(tetradecoxy)benzamide iodide IUPAC Name: N-acetyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide Traditional Name: N-acetyl-3,4-dimyristyloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]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(CC2=CC=CC=[N+]2CCC)C(=O)C)OCCCCCCCCCCCCCC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C46H77N2O4.HI/c1-5-8-10-12-14-16-18-20-22-24-26-30-37-51-44-34-33-42(46(50)48(41(4)49)40-43-32-28-29-36-47(43)35-7-3)39-45(44)52-38-31-27-25-23-21-19-17-15-13-11-9-6-2;/h28-29,32-34,36,39H,5-27,30-31,35,37-38,40H2,1-4H3;1H/q+1;/p-1