4-[[4,6-bis(fluoranyl)-1H-benzimidazol-2-yl]methylamino]-1-oxidanyl-piperidin-1-ium-1-carboxylic acid

Systemtic Name: 4-[[4,6-bis(fluoranyl)-1H-benzimidazol-2-yl]methylamino]-1-oxidanyl-piperidin-1-ium-1-carboxylic acid Openeye Name: 4-[(4,6-difluoro-1H-benzimidazol-2-yl)methylamino]-1-hydroxy-piperidin-1-ium-1-carboxylic acid CAS Name: 4-[(4,6-difluoro-1H-benzimidazol-2-yl)methylamino]-1-hydroxy-1-piperidin-1-iumcarboxylic acid IUPAC Name: 4-[(4,6-difluoro-1H-benzimidazol-2-yl)methylamino]-1-hydroxypiperidin-1-ium-1-carboxylic acid Traditional Name: 4-[(4,6-difluoro-1H-benzimidazol-2-yl)methylamino]-1-hydroxy-piperidin-1-ium-1-carboxylic acid Formula: C14H17F2N4O3+ MolecularWeight: 327.306586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1NCC2=NC3=C(C=C(C=C3N2)F)F)(C(=O)O)O

Isomeric SMILES

C1C[N+](CCC1NCC2=NC3=C(C=C(C=C3N2)F)F)(C(=O)O)O

InChI

InChI=1S/C14H16F2N4O3/c15-8-5-10(16)13-11(6-8)18-12(19-13)7-17-9-1-3-20(23,4-2-9)14(21)22/h5-6,9,17,23H,1-4,7H2,(H-,18,19,21,22)/p+1