ethanedioate; 1-[(4-fluorophenyl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]benzimidazol-2-amine

Systemtic Name: ethanedioate; 1-[(4-fluorophenyl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]benzimidazol-2-amine Openeye Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(2-pyridyl)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine; oxalate CAS Name: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(2-pyridinyl)ethyl]-3-pyrrolidinyl]-2-benzimidazolamine; oxalate IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]benzimidazol-2-amine; oxalate Traditional Name: [1-(4-fluorobenzyl)benzimidazol-2-yl]-[1-[2-(2-pyridyl)ethyl]pyrrolidin-3-yl]amine; oxalate Formula: C64H52F2N10O28-14 MolecularWeight: 1447.144686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=CC=CC=N5.C1CN(CC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=CC=CC=N5.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1CN(CC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=CC=CC=N5.C1CN(CC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=CC=CC=N5.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C25H26FN5.7C2H2O4/c2*26-20-10-8-19(9-11-20)17-31-24-7-2-1-6-23(24)29-25(31)28-22-13-16-30(18-22)15-12-21-5-3-4-14-27-21;7*3-1(4)2(5)6/h2*1-11,14,22H,12-13,15-18H2,(H,28,29);7*(H,3,4)(H,5,6)/p-14