4-azanylbenzoate; 2-hydroxyethyl(trimethyl)azanium; hydrochloride

Systemtic Name: 4-azanylbenzoate; 2-hydroxyethyl(trimethyl)azanium; hydrochloride Openeye Name: 4-aminobenzoate; 2-hydroxyethyl(trimethyl)ammonium; hydrochloride CAS Name: 4-aminobenzoate; 2-hydroxyethyl(trimethyl)ammonium; hydrochloride IUPAC Name: 4-aminobenzoate; 2-hydroxyethyl(trimethyl)azanium; hydrochloride Traditional Name: 4-aminobenzoate; 2-hydroxyethyl(trimethyl)ammonium; hydrochloride Formula: C12H21ClN2O3 MolecularWeight: 276.75974

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCO.C1=CC(=CC=C1C(=O)[O-])N.Cl

Isomeric SMILES

C[N+](C)(C)CCO.C1=CC(=CC=C1C(=O)[O-])N.Cl

InChI

InChI=1S/C7H7NO2.C5H14NO.ClH/c8-6-3-1-5(2-4-6)7(9)10;1-6(2,3)4-5-7;/h1-4H,8H2,(H,9,10);7H,4-5H2,1-3H3;1H/q;+1;/p-1