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

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-(2-methoxyphenyl)carbonyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate iodide Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-(2-methoxybenzoyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate iodide CAS Name: N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-tert-butyl-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-tert-butyl-4-tetradecoxyphenyl)methyl N-(2-methoxybenzoyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate iodide Traditional Name: N-[(1-methylpyridin-1-ium-3-yl)methyl]-N-o-anisoyl-carbamic acid (3-tert-butyl-4-myristyloxy-benzyl) ester iodide Formula: C41H59IN2O5 MolecularWeight: 786.82203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3OC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)COC(=O)N(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3OC)C(C)(C)C.[I-]

InChI

InChI=1S/C41H59N2O5.HI/c1-7-8-9-10-11-12-13-14-15-16-17-20-28-47-38-26-25-33(29-36(38)41(2,3)4)32-48-40(45)43(31-34-22-21-27-42(5)30-34)39(44)35-23-18-19-24-37(35)46-6;/h18-19,21-27,29-30H,7-17,20,28,31-32H2,1-6H3;1H/q+1;/p-1