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

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-4-yl)methyl]carbamate iodide Openeye Name: (3-chloro-4-tetradecoxy-phenyl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-4-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]carbamic acid (3-chloro-4-tetradecoxyphenyl)methyl ester iodide IUPAC Name: (3-chloro-4-tetradecoxyphenyl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-4-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-4-yl)methyl]carbamic acid (3-chloro-4-myristyloxy-benzyl) ester iodide Formula: C32H48ClIN2O4 MolecularWeight: 687.09199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48ClN2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-23-38-31-18-17-29(24-30(31)33)26-39-32(37)35(27(3)36)25-28-19-21-34(5-2)22-20-28;/h17-22,24H,4-16,23,25-26H2,1-3H3;1H/q+1;/p-1