(4-methyl-1-oxidanyl-3-propan-2-yl-pentan-3-yl)azanium; 9H-xanthene-9-carboxylate; hydrobromide

Systemtic Name: (4-methyl-1-oxidanyl-3-propan-2-yl-pentan-3-yl)azanium; 9H-xanthene-9-carboxylate; hydrobromide Openeye Name: [1-(2-hydroxyethyl)-1-isopropyl-2-methyl-propyl]ammonium; 9H-xanthene-9-carboxylate; hydrobromide CAS Name: (1-hydroxy-4-methyl-3-propan-2-ylpentan-3-yl)ammonium; 9H-xanthene-9-carboxylate; hydrobromide IUPAC Name: (1-hydroxy-4-methyl-3-propan-2-ylpentan-3-yl)azanium; 9H-xanthene-9-carboxylate; hydrobromide Traditional Name: [1-(2-hydroxyethyl)-1-isopropyl-2-methyl-propyl]ammonium; 9H-xanthene-9-carboxylate; hydrobromide Formula: C23H32BrNO4 MolecularWeight: 466.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCO)(C(C)C)[NH3+].C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)[O-].Br

Isomeric SMILES

CC(C)C(CCO)(C(C)C)[NH3+].C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)[O-].Br

InChI

InChI=1S/C14H10O3.C9H21NO.BrH/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13;1-7(2)9(10,5-6-11)8(3)4;/h1-8,13H,(H,15,16);7-8,11H,5-6,10H2,1-4H3;1H