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

Systemtic Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]carbamate iodide Openeye Name: (3-methoxy-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-methoxy-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-methoxy-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-methoxy-4-myristyloxy-benzyl) ester iodide Formula: C33H51IN2O5 MolecularWeight: 682.67291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H51N2O5.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-23-39-31-21-20-29(24-32(31)38-4)27-40-33(37)35(28(3)36)26-30-19-18-22-34(6-2)25-30;/h18-22,24-25H,5-17,23,26-27H2,1-4H3;1H/q+1;/p-1