ethanedioate; triethyl-(phenylmethyl)azanium

Systemtic Name: ethanedioate; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; oxalate CAS Name: oxalate; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; oxalate Traditional Name: benzyl(triethyl)ammonium; oxalate Formula: C28H44N2O4 MolecularWeight: 472.65996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H22N.C2H2O4/c2*1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;3-1(4)2(5)6/h2*7-11H,4-6,12H2,1-3H3;(H,3,4)(H,5,6)/q2*+1;/p-2