Benzoylcholine iodide

• Catalog Number: ACM17518433
• Product Name: Benzoylcholine iodide
• CAS: 17518-43-3
• Category: Heterocyclic Organic Compound
• Synonyms: B0108; Choline, iodide benzoate; KS-000016TG; ACMC-1BUU4; Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide; AC1L3D1F; Choline, benzoate; ANW-22747; Choline, iodide, benzoate (8CI); TR-007841
• IUPAC Name: 2-benzoyloxyethyl(trimethyl)azanium;iodide
• Molecular Weight: 335.18
• Molecular Formula: C₁₂H₁₈INO₂
• Canonical SMILES: C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[I-]
• InChI: InChI=1S/C12H18NO2.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1
• InChI Key: XILQCEGWGBSDSH-UHFFFAOYSA-M
• Storage: −20°C
• Complexity: 202
• Covalently-Bonded Unit Count: 2
• EC Number: 241-517-3
• Exact Mass: 335.038g/mol
• H-Bond Acceptor: 3
• Heavy Atom Count: 16
• Monoisotopic Mass: 335.038g/mol
• NSC Number: 19888
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 26.3A^2