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

Systemtic Name: (3,5-dimethoxy-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide Openeye Name: (3,5-dimethoxy-4-tetradecoxy-phenyl)methyl N-acetyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-propyl-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-propylpyridin-1-ium-3-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamic acid (3,5-dimethoxy-4-myristyloxy-benzyl) ester iodide Formula: C35H55IN2O6 MolecularWeight: 726.72547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H55N2O6.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-23-42-34-32(40-4)24-31(25-33(34)41-5)28-43-35(39)37(29(3)38)27-30-20-19-22-36(26-30)21-7-2;/h19-20,22,24-26H,6-18,21,23,27-28H2,1-5H3;1H/q+1;/p-1