(3-methoxy-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-acetyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]carbamic acid (3-methoxy-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-methoxy-4-tetradecoxyphenyl)methyl N-acetyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamic acid (3-methoxy-4-myristyloxy-benzyl) ester iodide Formula: C34H53IN2O5 MolecularWeight: 696.69949

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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)C)OC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C34H53N2O5.HI/c1-5-7-8-9-10-11-12-13-14-15-16-19-25-40-32-22-21-30(26-33(32)39-4)28-41-34(38)36(29(3)37)27-31-20-17-18-24-35(31)23-6-2;/h17-18,20-22,24,26H,5-16,19,23,25,27-28H2,1-4H3;1H/q+1;/p-1