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

Systemtic Name: N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide Openeye Name: N-benzoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide CAS Name: N-benzoyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]-3,4-di(tetradecoxy)benzamide iodide IUPAC Name: N-benzoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide Traditional Name: N-benzoyl-3,4-dimyristyloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C51H79IN2O4 MolecularWeight: 911.08843

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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=C3)OCCCCCCCCCCCCCC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C51H79N2O4.HI/c1-4-7-9-11-13-15-17-19-21-23-25-32-41-56-48-38-37-46(43-49(48)57-42-33-26-24-22-20-18-16-14-12-10-8-5-2)51(55)53(50(54)45-34-28-27-29-35-45)44-47-36-30-31-40-52(47)39-6-3;/h27-31,34-38,40,43H,4-26,32-33,39,41-42,44H2,1-3H3;1H/q+1;/p-1