trimethyl(2-oxidanylpropyl)azanium benzoate

Systemtic Name: trimethyl(2-oxidanylpropyl)azanium benzoate Openeye Name: 2-hydroxypropyl(trimethyl)ammonium benzoate CAS Name: 2-hydroxypropyl(trimethyl)ammonium benzoate IUPAC Name: 2-hydroxypropyl(trimethyl)azanium benzoate Traditional Name: 2-hydroxypropyl(trimethyl)ammonium benzoate Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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