(2,2-dimethyl-3-oxidanyl-propyl)-trimethyl-azanium; 3-methyl-2-phenyl-pentanoate; hydrobromide

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl)-trimethyl-azanium; 3-methyl-2-phenyl-pentanoate; hydrobromide Openeye Name: (3-hydroxy-2,2-dimethyl-propyl)-trimethyl-ammonium; 3-methyl-2-phenyl-pentanoate; hydrobromide CAS Name: (3-hydroxy-2,2-dimethylpropyl)-trimethylammonium; 3-methyl-2-phenylpentanoate; hydrobromide IUPAC Name: (3-hydroxy-2,2-dimethylpropyl)-trimethylazanium; 3-methyl-2-phenylpentanoate; hydrobromide Traditional Name: (3-hydroxy-2,2-dimethyl-propyl)-trimethyl-ammonium; 3-methyl-2-phenyl-valerate; hydrobromide Formula: C20H36BrNO3 MolecularWeight: 418.40874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)[O-].CC(C)(C[N+](C)(C)C)CO.Br

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)[O-].CC(C)(C[N+](C)(C)C)CO.Br

InChI

InChI=1S/C12H16O2.C8H20NO.BrH/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10;1-8(2,7-10)6-9(3,4)5;/h4-9,11H,3H2,1-2H3,(H,13,14);10H,6-7H2,1-5H3;1H/q;+1;/p-1