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

Systemtic Name: 3-tert-butyl-N-(2-methoxyphenyl)carbonyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide Openeye Name: 3-tert-butyl-N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide CAS Name: 3-tert-butyl-N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-propyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide IUPAC Name: 3-tert-butyl-N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide Traditional Name: 3-tert-butyl-4-myristyloxy-N-o-anisoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Formula: C42H61N2O4+ MolecularWeight: 657.94474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3OC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3OC)C(C)(C)C

InChI

InChI=1S/C42H61N2O4/c1-7-9-10-11-12-13-14-15-16-17-18-23-31-48-39-28-27-34(32-37(39)42(3,4)5)40(45)44(33-35-24-21-22-30-43(35)29-8-2)41(46)36-25-19-20-26-38(36)47-6/h19-22,24-28,30,32H,7-18,23,29,31,33H2,1-6H3/q+1