(2-bromophenyl)methyl-(3-chloranylpropyl)-prop-2-enyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: (2-bromophenyl)methyl-(3-chloranylpropyl)-prop-2-enyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: allyl-[(2-bromophenyl)methyl]-(3-chloropropyl)ammonium; 2-hydroxy-2-oxo-acetate CAS Name: (2-bromophenyl)methyl-(3-chloropropyl)-prop-2-enylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: (2-bromophenyl)methyl-(3-chloropropyl)-prop-2-enylazanium; 2-hydroxy-2-oxoacetate Traditional Name: allyl-(2-bromobenzyl)-(3-chloropropyl)ammonium binoxalate Formula: C15H19BrClNO4 MolecularWeight: 392.67266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrClN.C2H2O4/c1-2-9-16(10-5-8-15)11-12-6-3-4-7-13(12)14;3-1(4)2(5)6/h2-4,6-7H,1,5,8-11H2;(H,3,4)(H,5,6)