trimethyl(1-oxidanylpropan-2-yl)azanium benzoate chloride

Systemtic Name: trimethyl(1-oxidanylpropan-2-yl)azanium benzoate chloride Openeye Name: (2-hydroxy-1-methyl-ethyl)-trimethyl-ammonium benzoate chloride CAS Name: 1-hydroxypropan-2-yl(trimethyl)ammonium benzoate chloride IUPAC Name: 1-hydroxypropan-2-yl(trimethyl)azanium benzoate chloride Traditional Name: (2-hydroxy-1-methyl-ethyl)-trimethyl-ammonium benzoate chloride Formula: C13H21ClNO3- MolecularWeight: 274.76374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C6H16NO.ClH/c8-7(9)6-4-2-1-3-5-6;1-6(5-8)7(2,3)4;/h1-5H,(H,8,9);6,8H,5H2,1-4H3;1H/q;+1;/p-2