phosphoric acid; 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole

Systemtic Name: phosphoric acid; 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole Openeye Name: phosphoric acid; 2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1H-benzimidazole CAS Name: phosphoric acid; 2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-benzimidazole IUPAC Name: phosphoric acid; 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole Traditional Name: phosphoric acid; 2-[[4-(2-pyridyl)piperazino]methyl]-1H-benzimidazole Formula: C17H25N5O8P2 MolecularWeight: 489.356622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C17H19N5.2H3O4P/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17;2*1-5(2,3)4/h1-8H,9-13H2,(H,19,20);2*(H3,1,2,3,4)