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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C19H19ClF2N5O+ MolecularWeight: 406.836866

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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(=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClF2N5O/c20-15-10-13(2-3-16(15)22)23-19(28)11-26-7-5-14(6-8-26)27-18-4-1-12(21)9-17(18)24-25-27/h1-4,9-10,14H,5-8,11H2,(H,23,28)/p+1