2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C19H21FN5O+ MolecularWeight: 354.401343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C19H20FN5O/c20-14-6-7-18-17(12-14)22-23-25(18)16-8-10-24(11-9-16)13-19(26)21-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2,(H,21,26)/p+1