(3,5-dimethoxy-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: (3,5-dimethoxy-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (3,5-dimethoxy-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 (3,5-dimethoxy-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3,5-dimethoxy-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 (3,5-dimethoxy-4-myristyloxy-benzyl) ester iodide Formula: C35H55IN2O6 MolecularWeight: 726.72547

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1OC)COC(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1OC)COC(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C)OC.[I-]

InChI

InChI=1S/C35H55N2O6.HI/c1-6-8-9-10-11-12-13-14-15-16-17-20-24-42-34-32(40-4)25-30(26-33(34)41-5)28-43-35(39)37(29(3)38)27-31-21-18-19-23-36(31)22-7-2;/h18-19,21,23,25-26H,6-17,20,22,24,27-28H2,1-5H3;1H/q+1;/p-1