ethanedioate; 1-[(4-fluorophenyl)methyl]-5,6-dimethoxy-2-(piperidin-4-ylmethyl)benzimidazole

Systemtic Name: ethanedioate; 1-[(4-fluorophenyl)methyl]-5,6-dimethoxy-2-(piperidin-4-ylmethyl)benzimidazole Openeye Name: 1-[(4-fluorophenyl)methyl]-5,6-dimethoxy-2-(4-piperidylmethyl)benzimidazole; oxalate CAS Name: 1-[(4-fluorophenyl)methyl]-5,6-dimethoxy-2-(4-piperidinylmethyl)benzimidazole; oxalate IUPAC Name: 1-[(4-fluorophenyl)methyl]-5,6-dimethoxy-2-(piperidin-4-ylmethyl)benzimidazole; oxalate Traditional Name: 1-(4-fluorobenzyl)-5,6-dimethoxy-2-(4-piperidylmethyl)benzimidazole; oxalate Formula: C26H26FN3O10-4 MolecularWeight: 559.497143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)CC4CCNCC4)OC.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)CC4CCNCC4)OC.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C22H26FN3O2.2C2H2O4/c1-27-20-12-18-19(13-21(20)28-2)26(14-16-3-5-17(23)6-4-16)22(25-18)11-15-7-9-24-10-8-15;2*3-1(4)2(5)6/h3-6,12-13,15,24H,7-11,14H2,1-2H3;2*(H,3,4)(H,5,6)/p-4