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

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-phenoxyphenyl)ethanamide Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-phenoxyphenyl)acetamide CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(2-phenoxyphenyl)acetamide IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-phenoxyphenyl)acetamide Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-phenoxyphenyl)acetamide Formula: C25H25FN5O2+ MolecularWeight: 446.496703

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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=C4OC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NC4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C25H24FN5O2/c26-18-10-11-23-22(16-18)28-29-31(23)19-12-14-30(15-13-19)17-25(32)27-21-8-4-5-9-24(21)33-20-6-2-1-3-7-20/h1-11,16,19H,12-15,17H2,(H,27,32)/p+1