ethanedioate; heptyl-methyl-(3-phenylpropyl)azanium

Systemtic Name: ethanedioate; heptyl-methyl-(3-phenylpropyl)azanium Openeye Name: heptyl-methyl-(3-phenylpropyl)ammonium; oxalate CAS Name: heptyl-methyl-(3-phenylpropyl)ammonium; oxalate IUPAC Name: heptyl-methyl-(3-phenylpropyl)azanium; oxalate Traditional Name: heptyl-methyl-(3-phenylpropyl)ammonium; oxalate Formula: C36H60N2O4 MolecularWeight: 584.8726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[NH+](C)CCCC1=CC=CC=C1.CCCCCCC[NH+](C)CCCC1=CC=CC=C1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCCC[NH+](C)CCCC1=CC=CC=C1.CCCCCCC[NH+](C)CCCC1=CC=CC=C1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C17H29N.C2H2O4/c2*1-3-4-5-6-10-15-18(2)16-11-14-17-12-8-7-9-13-17;3-1(4)2(5)6/h2*7-9,12-13H,3-6,10-11,14-16H2,1-2H3;(H,3,4)(H,5,6)