1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-triazole-4-carboxamide CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-N-cyclopropyl-4-triazolecarboxamide IUPAC Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyltriazole-4-carboxamide Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]-N-cyclopropyl-triazole-4-carboxamide Formula: C18H22ClFN5O+ MolecularWeight: 378.851583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C18H21ClFN5O/c19-15-2-1-3-16(20)14(15)10-24-8-6-13(7-9-24)25-11-17(22-23-25)18(26)21-12-4-5-12/h1-3,11-13H,4-10H2,(H,21,26)/p+1