2-bromanyl-4-methyl-pentanoate; trimethyl(1-oxidanylpropan-2-yl)azanium; chloride

Systemtic Name: 2-bromanyl-4-methyl-pentanoate; trimethyl(1-oxidanylpropan-2-yl)azanium; chloride Openeye Name: 2-bromo-4-methyl-pentanoate; (2-hydroxy-1-methyl-ethyl)-trimethyl-ammonium; chloride CAS Name: 2-bromo-4-methylpentanoate; 1-hydroxypropan-2-yl(trimethyl)ammonium; chloride IUPAC Name: 2-bromo-4-methylpentanoate; 1-hydroxypropan-2-yl(trimethyl)azanium; chloride Traditional Name: 2-bromo-4-methyl-valerate; (2-hydroxy-1-methyl-ethyl)-trimethyl-ammonium; chloride Formula: C12H26BrClNO3- MolecularWeight: 347.69674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H11BrO2.C6H16NO.ClH/c1-4(2)3-5(7)6(8)9;1-6(5-8)7(2,3)4;/h4-5H,3H2,1-2H3,(H,8,9);6,8H,5H2,1-4H3;1H/q;+1;/p-2