benzene-1,2,4-tricarboxylate; trimethyl(naphthalen-1-yl)azanium

Systemtic Name: benzene-1,2,4-tricarboxylate; trimethyl(naphthalen-1-yl)azanium Openeye Name: benzene-1,2,4-tricarboxylate; trimethyl(1-naphthyl)ammonium CAS Name: benzene-1,2,4-tricarboxylate; trimethyl(1-naphthalenyl)ammonium IUPAC Name: benzene-1,2,4-tricarboxylate; trimethyl(naphthalen-1-yl)azanium Traditional Name: benzene-1,2,4-tricarboxylate; trimethyl(1-naphthyl)ammonium Formula: C48H51N3O6 MolecularWeight: 765.93504

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=CC2=CC=CC=C21.C[N+](C)(C)C1=CC=CC2=CC=CC=C21.C[N+](C)(C)C1=CC=CC2=CC=CC=C21.C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC=CC2=CC=CC=C21.C[N+](C)(C)C1=CC=CC2=CC=CC=C21.C[N+](C)(C)C1=CC=CC2=CC=CC=C21.C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/3C13H16N.C9H6O6/c3*1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h3*4-10H,1-3H3;1-3H,(H,10,11)(H,12,13)(H,14,15)/q3*+1;/p-3