4-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)carbonyloxybutyl-trimethyl-azanium iodide

Systemtic Name: 4-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)carbonyloxybutyl-trimethyl-azanium iodide Openeye Name: 4-(3-chloro-4-hexoxy-5-methoxy-benzoyl)oxybutyl-trimethyl-ammonium iodide CAS Name: 4-[(3-chloro-4-hexoxy-5-methoxyphenyl)-oxomethoxy]butyl-trimethylammonium iodide IUPAC Name: 4-(3-chloro-4-hexoxy-5-methoxybenzoyl)oxybutyl-trimethylazanium iodide Traditional Name: 4-(3-chloro-4-hexoxy-5-methoxy-benzoyl)oxybutyl-trimethyl-ammonium iodide Formula: C21H35ClINO4 MolecularWeight: 527.86437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Cl)C(=O)OCCCC[N+](C)(C)C)OC.[I-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Cl)C(=O)OCCCC[N+](C)(C)C)OC.[I-]

InChI

InChI=1S/C21H35ClNO4.HI/c1-6-7-8-10-13-26-20-18(22)15-17(16-19(20)25-5)21(24)27-14-11-9-12-23(2,3)4;/h15-16H,6-14H2,1-5H3;1H/q+1;/p-1