6-azaniumylhexyl(trimethyl)azanium; benzene-1,3-dicarboxylate

Systemtic Name: 6-azaniumylhexyl(trimethyl)azanium; benzene-1,3-dicarboxylate Openeye Name: 6-azaniumylhexyl(trimethyl)ammonium; benzene-1,3-dicarboxylate CAS Name: 6-ammoniohexyl(trimethyl)ammonium; benzene-1,3-dicarboxylate IUPAC Name: 6-azaniumylhexyl(trimethyl)azanium; benzene-1,3-dicarboxylate Traditional Name: 6-ammoniohexyl(trimethyl)ammonium; isophthalate Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCC[NH3+].C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCCCCC[NH3+].C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C9H23N2.C8H6O4/c1-11(2,3)9-7-5-4-6-8-10;9-7(10)5-2-1-3-6(4-5)8(11)12/h4-10H2,1-3H3;1-4H,(H,9,10)(H,11,12)/q+1;/p-1