(3-methoxy-4-tetradecoxy-phenyl)methyl N-[(1-methylpyridin-1-ium-3-yl)methyl]-N-(phenylcarbonyl)carbamate iodide

Systemtic Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-[(1-methylpyridin-1-ium-3-yl)methyl]-N-(phenylcarbonyl)carbamate iodide Openeye Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-benzoyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate iodide CAS Name: N-benzoyl-N-[(1-methyl-3-pyridin-1-iumyl)methyl]carbamic acid (3-methoxy-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-methoxy-4-tetradecoxyphenyl)methyl N-benzoyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate iodide Traditional Name: N-benzoyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamic acid (3-methoxy-4-myristyloxy-benzyl) ester iodide Formula: C37H51IN2O5 MolecularWeight: 730.71571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H51N2O5.HI/c1-4-5-6-7-8-9-10-11-12-13-14-18-26-43-34-24-23-31(27-35(34)42-3)30-44-37(41)39(29-32-20-19-25-38(2)28-32)36(40)33-21-16-15-17-22-33;/h15-17,19-25,27-28H,4-14,18,26,29-30H2,1-3H3;1H/q+1;/p-1