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

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(2-methoxyphenyl)carbonyl-carbamate iodide Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(2-methoxybenzoyl)carbamate iodide CAS Name: N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-N-[(2-methoxyphenyl)-oxomethyl]carbamic acid (3-tert-butyl-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-tert-butyl-4-tetradecoxyphenyl)methyl N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(2-methoxybenzoyl)carbamate iodide Traditional Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-o-anisoyl-carbamic acid (3-tert-butyl-4-myristyloxy-benzyl) ester iodide Formula: C42H61IN2O5 MolecularWeight: 800.84861

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C42H61N2O5.HI/c1-7-9-10-11-12-13-14-15-16-17-18-21-29-48-39-27-26-34(30-37(39)42(3,4)5)33-49-41(46)44(32-35-23-22-28-43(8-2)31-35)40(45)36-24-19-20-25-38(36)47-6;/h19-20,22-28,30-31H,7-18,21,29,32-33H2,1-6H3;1H/q+1;/p-1