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

Systemtic Name: 4-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)carbonyloxybutyl-trimethyl-azanium Openeye Name: 4-(3-chloro-4-hexoxy-5-methoxy-benzoyl)oxybutyl-trimethyl-ammonium CAS Name: 4-[(3-chloro-4-hexoxy-5-methoxyphenyl)-oxomethoxy]butyl-trimethylammonium IUPAC Name: 4-(3-chloro-4-hexoxy-5-methoxybenzoyl)oxybutyl-trimethylazanium Traditional Name: 4-(3-chloro-4-hexoxy-5-methoxy-benzoyl)oxybutyl-trimethyl-ammonium Formula: C21H35ClNO4+ MolecularWeight: 400.9599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35ClNO4/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/q+1