ethanedioate; methyl-nonyl-(4-phenylbutyl)azanium

Systemtic Name: ethanedioate; methyl-nonyl-(4-phenylbutyl)azanium Openeye Name: methyl-nonyl-(4-phenylbutyl)ammonium; oxalate CAS Name: methyl-nonyl-(4-phenylbutyl)ammonium; oxalate IUPAC Name: methyl-nonyl-(4-phenylbutyl)azanium; oxalate Traditional Name: methyl-nonyl-(4-phenylbutyl)ammonium; oxalate Formula: C42H72N2O4 MolecularWeight: 669.03208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[NH+](C)CCCCC1=CC=CC=C1.CCCCCCCCC[NH+](C)CCCCC1=CC=CC=C1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCCCCC[NH+](C)CCCCC1=CC=CC=C1.CCCCCCCCC[NH+](C)CCCCC1=CC=CC=C1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C20H35N.C2H2O4/c2*1-3-4-5-6-7-8-13-18-21(2)19-14-12-17-20-15-10-9-11-16-20;3-1(4)2(5)6/h2*9-11,15-16H,3-8,12-14,17-19H2,1-2H3;(H,3,4)(H,5,6)