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

Systemtic Name: 3-tert-butyl-N-(2-methoxyphenyl)carbonyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide Openeye Name: 3-tert-butyl-N-(2-methoxybenzoyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide CAS Name: 3-tert-butyl-N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide IUPAC Name: 3-tert-butyl-N-(2-methoxybenzoyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide Traditional Name: 3-tert-butyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-myristyloxy-N-o-anisoyl-benzamide Formula: C40H57N2O4+ MolecularWeight: 629.89158

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C40H57N2O4/c1-7-8-9-10-11-12-13-14-15-16-17-22-29-46-37-27-26-32(30-35(37)40(2,3)4)38(43)42(31-33-23-20-21-28-41(33)5)39(44)34-24-18-19-25-36(34)45-6/h18-21,23-28,30H,7-17,22,29,31H2,1-6H3/q+1