benzene-1,3-dicarboxylate; trimethyl-(phenylmethyl)azanium

Systemtic Name: benzene-1,3-dicarboxylate; trimethyl-(phenylmethyl)azanium Openeye Name: benzene-1,3-dicarboxylate; benzyl(trimethyl)ammonium CAS Name: benzene-1,3-dicarboxylate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzene-1,3-dicarboxylate; benzyl(trimethyl)azanium Traditional Name: benzyl(trimethyl)ammonium; isophthalate Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=CC=C1.C[N+](C)(C)CC1=CC=CC=C1.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CC1=CC=CC=C1.C[N+](C)(C)CC1=CC=CC=C1.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C10H16N.C8H6O4/c2*1-11(2,3)9-10-7-5-4-6-8-10;9-7(10)5-2-1-3-6(4-5)8(11)12/h2*4-8H,9H2,1-3H3;1-4H,(H,9,10)(H,11,12)/q2*+1;/p-2