2-[2-(4-hexoxy-3,5-dimethoxy-phenyl)carbonyloxyphenyl]ethyl-trimethyl-azanium

Systemtic Name: 2-[2-(4-hexoxy-3,5-dimethoxy-phenyl)carbonyloxyphenyl]ethyl-trimethyl-azanium Openeye Name: 2-[2-(4-hexoxy-3,5-dimethoxy-benzoyl)oxyphenyl]ethyl-trimethyl-ammonium CAS Name: 2-[2-[(4-hexoxy-3,5-dimethoxyphenyl)-oxomethoxy]phenyl]ethyl-trimethylammonium IUPAC Name: 2-[2-(4-hexoxy-3,5-dimethoxybenzoyl)oxyphenyl]ethyl-trimethylazanium Traditional Name: 2-[2-(4-hexoxy-3,5-dimethoxy-benzoyl)oxyphenyl]ethyl-trimethyl-ammonium Formula: C26H38NO5+ MolecularWeight: 444.58362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OC2=CC=CC=C2CC[N+](C)(C)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OC2=CC=CC=C2CC[N+](C)(C)C)OC

InChI

InChI=1S/C26H38NO5/c1-7-8-9-12-17-31-25-23(29-5)18-21(19-24(25)30-6)26(28)32-22-14-11-10-13-20(22)15-16-27(2,3)4/h10-11,13-14,18-19H,7-9,12,15-17H2,1-6H3/q+1