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

Systemtic Name: [1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone; 2-hydroxy-2-oxo-acetate CAS Name: [1-[(2,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone; 2-hydroxy-2-oxoacetate IUPAC Name: [1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-pyrrolidin-1-ylmethanone; 2-hydroxy-2-oxoacetate Traditional Name: [1-(2,4-dimethoxybenzyl)piperidin-1-ium-3-yl]-pyrrolidino-methanone binoxalate Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCC3)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCC3)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H28N2O3.C2H2O4/c1-23-17-8-7-15(18(12-17)24-2)13-20-9-5-6-16(14-20)19(22)21-10-3-4-11-21;3-1(4)2(5)6/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3;(H,3,4)(H,5,6)