N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-4-tetradecoxy-phenyl)methyl]benzamide iodide

Systemtic Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-4-tetradecoxy-phenyl)methyl]benzamide iodide Openeye Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-4-tetradecoxy-phenyl)methyl]benzamide iodide CAS Name: N-[(1-methyl-2-pyridin-1-iumyl)methyl]-N-[(2-methyl-4-tetradecoxyphenyl)methyl]benzamide iodide IUPAC Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-[(2-methyl-4-tetradecoxyphenyl)methyl]benzamide iodide Traditional Name: N-(2-methyl-4-myristyloxy-benzyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C36H51IN2O2 MolecularWeight: 670.70681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H51N2O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-20-27-40-35-25-24-33(31(2)28-35)29-38(30-34-23-18-19-26-37(34)3)36(39)32-21-16-15-17-22-32;/h15-19,21-26,28H,4-14,20,27,29-30H2,1-3H3;1H/q+1;/p-1