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

Systemtic Name: 4-azanyl-2-oxidanyl-benzoic acid; ethyl-(2-hydroxyethyl)-dimethyl-azanium; bromide Openeye Name: 4-amino-2-hydroxy-benzoic acid; ethyl-(2-hydroxyethyl)-dimethyl-ammonium; bromide CAS Name: 4-amino-2-hydroxybenzoic acid; ethyl-(2-hydroxyethyl)-dimethylammonium; bromide IUPAC Name: 4-amino-2-hydroxybenzoic acid; ethyl-(2-hydroxyethyl)-dimethylazanium; bromide Traditional Name: 4-amino-2-hydroxy-benzoic acid; ethyl-(2-hydroxyethyl)-dimethyl-ammonium; bromide Formula: C13H23BrN2O4 MolecularWeight: 351.23672

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CCO.C1=CC(=C(C=C1N)O)C(=O)O.[Br-]

Isomeric SMILES

CC[N+](C)(C)CCO.C1=CC(=C(C=C1N)O)C(=O)O.[Br-]

InChI

InChI=1S/C7H7NO3.C6H16NO.BrH/c8-4-1-2-5(7(10)11)6(9)3-4;1-4-7(2,3)5-6-8;/h1-3,9H,8H2,(H,10,11);8H,4-6H2,1-3H3;1H/q;+1;/p-1