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

Systemtic Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate iodide Openeye Name: (3-methoxy-4-tetradecoxy-phenyl)methyl N-acetyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-methyl-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-methylpyridin-1-ium-3-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]carbamic acid (3-methoxy-4-myristyloxy-benzyl) ester iodide Formula: C32H49IN2O5 MolecularWeight: 668.64633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H49N2O5.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-38-30-20-19-28(23-31(30)37-4)26-39-32(36)34(27(2)35)25-29-18-17-21-33(3)24-29;/h17-21,23-24H,5-16,22,25-26H2,1-4H3;1H/q+1;/p-1