2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-iodanylphenyl)ethanamide

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-iodophenyl)acetamide CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(3-iodophenyl)acetamide IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-iodophenyl)acetamide Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(3-iodophenyl)acetamide Formula: C19H20FIN5O+ MolecularWeight: 480.297873

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C19H19FIN5O/c20-13-4-5-18-17(10-13)23-24-26(18)16-6-8-25(9-7-16)12-19(27)22-15-3-1-2-14(21)11-15/h1-5,10-11,16H,6-9,12H2,(H,22,27)/p+1