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

Systemtic Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-propylpyridin-1-ium-3-yl)methyl]carbamate iodide Openeye Name: (3-methoxy-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-methoxy-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-methoxy-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-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=C[N+](=CC=C2)CCC)C(=O)C)OC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C34H53N2O5.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-24-40-32-21-20-30(25-33(32)39-4)28-41-34(38)36(29(3)37)27-31-19-18-23-35(26-31)22-6-2;/h18-21,23,25-26H,5-17,22,24,27-28H2,1-4H3;1H/q+1;/p-1