(3,5-dimethoxy-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate iodide

Systemtic Name: (3,5-dimethoxy-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate iodide Openeye Name: (3,5-dimethoxy-4-tetradecoxy-phenyl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]carbamic acid (3,5-dimethoxy-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3,5-dimethoxy-4-tetradecoxyphenyl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamic acid (3,5-dimethoxy-4-myristyloxy-benzyl) ester iodide Formula: C34H53IN2O6 MolecularWeight: 712.69889

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1OC)COC(=O)N(CC2=C[N+](=CC=C2)CC)C(=O)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1OC)COC(=O)N(CC2=C[N+](=CC=C2)CC)C(=O)C)OC.[I-]

InChI

InChI=1S/C34H53N2O6.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-22-41-33-31(39-4)23-30(24-32(33)40-5)27-42-34(38)36(28(3)37)26-29-20-19-21-35(7-2)25-29;/h19-21,23-25H,6-18,22,26-27H2,1-5H3;1H/q+1;/p-1