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

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide CAS Name: N-benzoyl-N-[(1-propyl-3-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-3-yl)methyl]carbamate iodide Traditional Name: N-benzoyl-N-[(1-propylpyridin-1-ium-3-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=C[N+](=CC=C2)CCC)C(=O)C3=CC=CC=C3)C(C)(C)C.[I-]

Isomeric SMILES

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

InChI

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