N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-(4-lauryloxy-2-methyl-benzyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C36H51IN2O2 MolecularWeight: 670.70681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C36H51N2O2.HI/c1-4-6-7-8-9-10-11-12-13-19-27-40-35-24-23-33(31(3)28-35)29-38(36(39)32-20-15-14-16-21-32)30-34-22-17-18-26-37(34)25-5-2;/h14-18,20-24,26,28H,4-13,19,25,27,29-30H2,1-3H3;1H/q+1;/p-1