1-butyl-3-[1-(3-ethoxyphenyl)propyl]piperidin-1-ium; ethanedioate

Systemtic Name: 1-butyl-3-[1-(3-ethoxyphenyl)propyl]piperidin-1-ium; ethanedioate Openeye Name: 1-butyl-3-[1-(3-ethoxyphenyl)propyl]piperidin-1-ium; oxalate CAS Name: 1-butyl-3-[1-(3-ethoxyphenyl)propyl]piperidin-1-ium; oxalate IUPAC Name: 1-butyl-3-[1-(3-ethoxyphenyl)propyl]piperidin-1-ium; oxalate Traditional Name: 1-butyl-3-(1-m-phenetylpropyl)piperidin-1-ium; oxalate Formula: C42H68N2O6 MolecularWeight: 696.99912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CCCC(C1)C(CC)C2=CC(=CC=C2)OCC.CCCC[NH+]1CCCC(C1)C(CC)C2=CC(=CC=C2)OCC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCC[NH+]1CCCC(C1)C(CC)C2=CC(=CC=C2)OCC.CCCC[NH+]1CCCC(C1)C(CC)C2=CC(=CC=C2)OCC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C20H33NO.C2H2O4/c2*1-4-7-13-21-14-9-11-18(16-21)20(5-2)17-10-8-12-19(15-17)22-6-3;3-1(4)2(5)6/h2*8,10,12,15,18,20H,4-7,9,11,13-14,16H2,1-3H3;(H,3,4)(H,5,6)