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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C20H22ClFN5O+ MolecularWeight: 402.872983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H21ClFN5O/c1-13-2-5-19-18(10-13)24-25-27(19)15-6-8-26(9-7-15)12-20(28)23-14-3-4-17(22)16(21)11-14/h2-5,10-11,15H,6-9,12H2,1H3,(H,23,28)/p+1