3-tert-butyl-4-dodecoxy-N-(2-methoxyphenyl)carbonyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide

Systemtic Name: 3-tert-butyl-4-dodecoxy-N-(2-methoxyphenyl)carbonyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: 3-tert-butyl-4-dodecoxy-N-(2-methoxybenzoyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: 3-tert-butyl-4-dodecoxy-N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 3-tert-butyl-4-dodecoxy-N-(2-methoxybenzoyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: 3-tert-butyl-4-lauryloxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-o-anisoyl-benzamide iodide Formula: C38H53IN2O4 MolecularWeight: 728.74289

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3OC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3OC)C(C)(C)C.[I-]

InChI

InChI=1S/C38H53N2O4.HI/c1-7-8-9-10-11-12-13-14-15-20-27-44-35-25-24-30(28-33(35)38(2,3)4)36(41)40(29-31-21-18-19-26-39(31)5)37(42)32-22-16-17-23-34(32)43-6;/h16-19,21-26,28H,7-15,20,27,29H2,1-6H3;1H/q+1;/p-1