N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C39H57IN2O2 MolecularWeight: 712.78655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C39H57N2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-20-29-43-37-35(26-21-27-36(37)39(2,3)4)32-41(31-33-23-22-28-40(5)30-33)38(42)34-24-18-17-19-25-34;/h17-19,21-28,30H,6-16,20,29,31-32H2,1-5H3;1H/q+1;/p-1