2-[3,4-bis(oxidanyl)phenyl]carbonyloxyethyl-trimethyl-azanium

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]carbonyloxyethyl-trimethyl-azanium Openeye Name: 2-(3,4-dihydroxybenzoyl)oxyethyl-trimethyl-ammonium CAS Name: 2-[(3,4-dihydroxyphenyl)-oxomethoxy]ethyl-trimethylammonium IUPAC Name: 2-(3,4-dihydroxybenzoyl)oxyethyl-trimethylazanium Traditional Name: trimethyl(2-protocatechuoyloxyethyl)ammonium Formula: C12H18NO4+ MolecularWeight: 240.27562

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C1=CC(=C(C=C1)O)O

Isomeric SMILES

C[N+](C)(C)CCOC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C12H17NO4/c1-13(2,3)6-7-17-12(16)9-4-5-10(14)11(15)8-9/h4-5,8H,6-7H2,1-3H3,(H-,14,15,16)/p+1