(2-bromophenyl)methyl-(4-chloranylpentyl)-ethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: (2-bromophenyl)methyl-(4-chloranylpentyl)-ethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: (2-bromophenyl)methyl-(4-chloropentyl)-ethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: (2-bromophenyl)methyl-(4-chloropentyl)-ethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: (2-bromophenyl)methyl-(4-chloropentyl)-ethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: (2-bromobenzyl)-(4-chloropentyl)-ethyl-ammonium binoxalate Formula: C16H23BrClNO4 MolecularWeight: 408.71512

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCC(C)Cl)CC1=CC=CC=C1Br.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CCCC(C)Cl)CC1=CC=CC=C1Br.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C14H21BrClN.C2H2O4/c1-3-17(10-6-7-12(2)16)11-13-8-4-5-9-14(13)15;3-1(4)2(5)6/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3;(H,3,4)(H,5,6)