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

Systemtic Name: N-(2-methoxyphenyl)carbonyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide Openeye Name: N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide CAS Name: N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-propyl-2-pyridin-1-iumyl)methyl]-3,4-di(tetradecoxy)benzamide iodide IUPAC Name: N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide Traditional Name: 3,4-dimyristyloxy-N-o-anisoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C52H81IN2O5 MolecularWeight: 941.11441

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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)C3=CC=CC=C3OC)OCCCCCCCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3OC)OCCCCCCCCCCCCCC.[I-]

InChI

InChI=1S/C52H81N2O5.HI/c1-5-8-10-12-14-16-18-20-22-24-26-32-41-58-49-38-37-45(43-50(49)59-42-33-27-25-23-21-19-17-15-13-11-9-6-2)51(55)54(44-46-34-30-31-40-53(46)39-7-3)52(56)47-35-28-29-36-48(47)57-4;/h28-31,34-38,40,43H,5-27,32-33,39,41-42,44H2,1-4H3;1H/q+1;/p-1