ethanedioate; 3-(1-ethyl-5-methyl-2,4-dipropyl-piperidin-1-ium-4-yl)phenol

Systemtic Name: ethanedioate; 3-(1-ethyl-5-methyl-2,4-dipropyl-piperidin-1-ium-4-yl)phenol Openeye Name: 3-(1-ethyl-5-methyl-2,4-dipropyl-piperidin-1-ium-4-yl)phenol; oxalate CAS Name: 3-(1-ethyl-5-methyl-2,4-dipropyl-4-piperidin-1-iumyl)phenol; oxalate IUPAC Name: 3-(1-ethyl-5-methyl-2,4-dipropylpiperidin-1-ium-4-yl)phenol; oxalate Traditional Name: 3-(1-ethyl-5-methyl-2,4-dipropyl-piperidin-1-ium-4-yl)phenol; oxalate Formula: C42H68N2O6 MolecularWeight: 696.99912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(C(C[NH+]1CC)C)(CCC)C2=CC(=CC=C2)O.CCCC1CC(C(C[NH+]1CC)C)(CCC)C2=CC(=CC=C2)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCC1CC(C(C[NH+]1CC)C)(CCC)C2=CC(=CC=C2)O.CCCC1CC(C(C[NH+]1CC)C)(CCC)C2=CC(=CC=C2)O.C(=O)(C(=O)[O-])[O-]

InChI

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