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

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-(2-methoxyphenyl)carbonyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-(2-methoxybenzoyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-[(2-methoxyphenyl)-oxomethyl]-N-[(1-propyl-2-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-propylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-o-anisoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamic acid (3-tert-butyl-4-myristyloxy-benzyl) ester iodide Formula: C43H63IN2O5 MolecularWeight: 814.87519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H63N2O5.HI/c1-7-9-10-11-12-13-14-15-16-17-18-23-31-49-40-28-27-35(32-38(40)43(3,4)5)34-50-42(47)45(33-36-24-21-22-30-44(36)29-8-2)41(46)37-25-19-20-26-39(37)48-6;/h19-22,24-28,30,32H,7-18,23,29,31,33-34H2,1-6H3;1H/q+1;/p-1