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

Systemtic Name: 3-tert-butyl-4-dodecoxy-N-(2-methoxyphenyl)carbonyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: 3-tert-butyl-4-dodecoxy-N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: 3-tert-butyl-4-dodecoxy-N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 3-tert-butyl-4-dodecoxy-N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: 3-tert-butyl-4-lauryloxy-N-o-anisoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C40H57IN2O4 MolecularWeight: 756.79605

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C40H57N2O4.HI/c1-7-9-10-11-12-13-14-15-16-21-29-46-37-26-25-32(30-35(37)40(3,4)5)38(43)42(31-33-22-19-20-28-41(33)27-8-2)39(44)34-23-17-18-24-36(34)45-6;/h17-20,22-26,28,30H,7-16,21,27,29,31H2,1-6H3;1H/q+1;/p-1