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

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-benzoyl-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-benzoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-benzoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamic acid (3-tert-butyl-4-myristyloxy-benzyl) ester iodide Formula: C42H61IN2O4 MolecularWeight: 784.84921

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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=C3)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=C3)C(C)(C)C.[I-]

InChI

InChI=1S/C42H61N2O4.HI/c1-6-8-9-10-11-12-13-14-15-16-17-23-31-47-39-28-27-35(32-38(39)42(3,4)5)34-48-41(46)44(40(45)36-24-19-18-20-25-36)33-37-26-21-22-30-43(37)29-7-2;/h18-22,24-28,30,32H,6-17,23,29,31,33-34H2,1-5H3;1H/q+1;/p-1