N-[2-[(6-fluoranyl-1H-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-[(6-fluoranyl-1H-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]pyridine-4-carboxamide CAS Name: N-[2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]pyridine-4-carboxamide Traditional Name: N-[2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl]isonicotinamide Formula: C23H21FN5O+ MolecularWeight: 402.444143

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C(=CC=C2)NC(=O)C3=CC=NC=C3)CC4=NC5=C(N4)C=C(C=C5)F

Isomeric SMILES

C1C[NH+](CC2=C1C(=CC=C2)NC(=O)C3=CC=NC=C3)CC4=NC5=C(N4)C=C(C=C5)F

InChI

InChI=1S/C23H20FN5O/c24-17-4-5-20-21(12-17)27-22(26-20)14-29-11-8-18-16(13-29)2-1-3-19(18)28-23(30)15-6-9-25-10-7-15/h1-7,9-10,12H,8,11,13-14H2,(H,26,27)(H,28,30)/p+1