3-carboxybenzoate; triethyl(2-oxidanylpropyl)azanium

Systemtic Name: 3-carboxybenzoate; triethyl(2-oxidanylpropyl)azanium Openeye Name: 3-carboxybenzoate; triethyl(2-hydroxypropyl)ammonium CAS Name: 3-carboxybenzoate; triethyl(2-hydroxypropyl)ammonium IUPAC Name: 3-carboxybenzoate; triethyl(2-hydroxypropyl)azanium Traditional Name: 3-carboxybenzoate; triethyl(2-hydroxypropyl)ammonium Formula: C17H27NO5 MolecularWeight: 325.39998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H22NO.C8H6O4/c1-5-10(6-2,7-3)8-9(4)11;9-7(10)5-2-1-3-6(4-5)8(11)12/h9,11H,5-8H2,1-4H3;1-4H,(H,9,10)(H,11,12)/q+1;/p-1