ethanedioate; 1-[(4-fluorophenyl)methyl]-2-[(1-prop-2-enylpiperidin-4-yl)methyl]benzimidazole

Systemtic Name: ethanedioate; 1-[(4-fluorophenyl)methyl]-2-[(1-prop-2-enylpiperidin-4-yl)methyl]benzimidazole Openeye Name: 2-[(1-allyl-4-piperidyl)methyl]-1-[(4-fluorophenyl)methyl]benzimidazole; oxalate CAS Name: 1-[(4-fluorophenyl)methyl]-2-[(1-prop-2-enyl-4-piperidinyl)methyl]benzimidazole; oxalate IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-[(1-prop-2-enylpiperidin-4-yl)methyl]benzimidazole; oxalate Traditional Name: 2-[(1-allyl-4-piperidyl)methyl]-1-(4-fluorobenzyl)benzimidazole; oxalate Formula: C27H26FN3O8-4 MolecularWeight: 539.509043

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC(CC1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C=CCN1CCC(CC1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C23H26FN3.2C2H2O4/c1-2-13-26-14-11-18(12-15-26)16-23-25-21-5-3-4-6-22(21)27(23)17-19-7-9-20(24)10-8-19;2*3-1(4)2(5)6/h2-10,18H,1,11-17H2;2*(H,3,4)(H,5,6)/p-4