2-aminocarbonyloxypropyl(trimethyl)azanium; benzene-1,2,3-tricarboxylate; chloride

Systemtic Name: 2-aminocarbonyloxypropyl(trimethyl)azanium; benzene-1,2,3-tricarboxylate; chloride Openeye Name: benzene-1,2,3-tricarboxylate; 2-carbamoyloxypropyl(trimethyl)ammonium; chloride CAS Name: benzene-1,2,3-tricarboxylate; 2-carbamoyloxypropyl(trimethyl)ammonium; chloride IUPAC Name: benzene-1,2,3-tricarboxylate; 2-carbamoyloxypropyl(trimethyl)azanium; chloride Traditional Name: benzene-1,2,3-tricarboxylate; 2-carbamoyloxypropyl(trimethyl)ammonium; chloride Formula: C16H20ClN2O8-3 MolecularWeight: 403.7916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6O6.C7H16N2O2.ClH/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;1-6(11-7(8)10)5-9(2,3)4;/h1-3H,(H,10,11)(H,12,13)(H,14,15);6H,5H2,1-4H3,(H-,8,10);1H/p-3