2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-mesityl-acetamide Formula: C22H27FN5O+ MolecularWeight: 396.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3)C

InChI

InChI=1S/C22H26FN5O/c1-14-10-15(2)22(16(3)11-14)24-21(29)13-27-8-6-18(7-9-27)28-20-5-4-17(23)12-19(20)25-26-28/h4-5,10-12,18H,6-9,13H2,1-3H3,(H,24,29)/p+1