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

Systemtic Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(phenylcarbonyl)carbamate iodide Openeye Name: (3-tert-butyl-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate iodide CAS Name: N-benzoyl-N-[(1-ethyl-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-ethylpyridin-1-ium-3-yl)methyl]carbamate iodide Traditional Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamic acid (3-tert-butyl-4-myristyloxy-benzyl) ester iodide Formula: C41H59IN2O4 MolecularWeight: 770.82263

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

InChI

InChI=1S/C41H59N2O4.HI/c1-6-8-9-10-11-12-13-14-15-16-17-21-29-46-38-27-26-34(30-37(38)41(3,4)5)33-47-40(45)43(39(44)36-24-19-18-20-25-36)32-35-23-22-28-42(7-2)31-35;/h18-20,22-28,30-31H,6-17,21,29,32-33H2,1-5H3;1H/q+1;/p-1