trimethyl(3-oxidanylpropyl)azanium benzoate hydrochloride

Systemtic Name: trimethyl(3-oxidanylpropyl)azanium benzoate hydrochloride Openeye Name: 3-hydroxypropyl(trimethyl)ammonium benzoate hydrochloride CAS Name: 3-hydroxypropyl(trimethyl)ammonium benzoate hydrochloride IUPAC Name: 3-hydroxypropyl(trimethyl)azanium benzoate hydrochloride Traditional Name: 3-hydroxypropyl(trimethyl)ammonium benzoate hydrochloride Formula: C13H22ClNO3 MolecularWeight: 275.77168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[N+](C)(C)CCCO.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;1-7(2,3)5-4-6-8;/h1-5H,(H,8,9);8H,4-6H2,1-3H3;1H/q;+1;/p-1