[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone; 2-hydroxy-2-oxo-acetate CAS Name: [1-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone; 2-hydroxy-2-oxoacetate IUPAC Name: [1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone; 2-hydroxy-2-oxoacetate Traditional Name: piperidino-(1-veratrylpiperidin-1-ium-3-yl)methanone binoxalate Formula: C22H32N2O7 MolecularWeight: 436.49868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCC3)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCC3)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H30N2O3.C2H2O4/c1-24-18-9-8-16(13-19(18)25-2)14-21-10-6-7-17(15-21)20(23)22-11-4-3-5-12-22;3-1(4)2(5)6/h8-9,13,17H,3-7,10-12,14-15H2,1-2H3;(H,3,4)(H,5,6)