4-bromanylpentyl-ethyl-[2-(3,4,5-trimethoxyphenyl)carbonyloxyethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 4-bromanylpentyl-ethyl-[2-(3,4,5-trimethoxyphenyl)carbonyloxyethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 4-bromopentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 4-bromopentyl-ethyl-[2-[oxo-(3,4,5-trimethoxyphenyl)methoxy]ethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 4-bromopentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: 4-bromopentyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]ammonium binoxalate Formula: C21H32BrNO9 MolecularWeight: 522.38408

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCC(C)Br)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CCCC(C)Br)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H30BrNO5.C2H2O4/c1-6-21(9-7-8-14(2)20)10-11-26-19(22)15-12-16(23-3)18(25-5)17(13-15)24-4;3-1(4)2(5)6/h12-14H,6-11H2,1-5H3;(H,3,4)(H,5,6)