ethyl-(2-hydroxyethyl)-dimethyl-azanium; 4-(methylamino)-2-oxidanyl-benzoic acid; bromide

Systemtic Name: ethyl-(2-hydroxyethyl)-dimethyl-azanium; 4-(methylamino)-2-oxidanyl-benzoic acid; bromide Openeye Name: ethyl-(2-hydroxyethyl)-dimethyl-ammonium; 2-hydroxy-4-(methylamino)benzoic acid; bromide CAS Name: ethyl-(2-hydroxyethyl)-dimethylammonium; 2-hydroxy-4-(methylamino)benzoic acid; bromide IUPAC Name: ethyl-(2-hydroxyethyl)-dimethylazanium; 2-hydroxy-4-(methylamino)benzoic acid; bromide Traditional Name: ethyl-(2-hydroxyethyl)-dimethyl-ammonium; 2-hydroxy-4-(methylamino)benzoic acid; bromide Formula: C14H25BrN2O4 MolecularWeight: 365.2633

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CCO.CNC1=CC(=C(C=C1)C(=O)O)O.[Br-]

Isomeric SMILES

CC[N+](C)(C)CCO.CNC1=CC(=C(C=C1)C(=O)O)O.[Br-]

InChI

InChI=1S/C8H9NO3.C6H16NO.BrH/c1-9-5-2-3-6(8(11)12)7(10)4-5;1-4-7(2,3)5-6-8;/h2-4,9-10H,1H3,(H,11,12);8H,4-6H2,1-3H3;1H/q;+1;/p-1