2,6-dimethoxy-4-[[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]phenol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2,6-dimethoxy-4-[[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]phenol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2,6-dimethoxy-4-[[4-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]phenol; 2-hydroxy-2-oxo-acetate CAS Name: 2,6-dimethoxy-4-[[4-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]phenol; 2-hydroxy-2-oxoacetate IUPAC Name: 2,6-dimethoxy-4-[[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]phenol; 2-hydroxy-2-oxoacetate Traditional Name: 2,6-dimethoxy-4-[[4-(4-phenylpiperazin-1-ium-1-yl)piperidino]methyl]phenol binoxalate Formula: C26H35N3O7 MolecularWeight: 501.572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H33N3O3.C2H2O4/c1-29-22-16-19(17-23(30-2)24(22)28)18-25-10-8-21(9-11-25)27-14-12-26(13-15-27)20-6-4-3-5-7-20;3-1(4)2(5)6/h3-7,16-17,21,28H,8-15,18H2,1-2H3;(H,3,4)(H,5,6)