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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C17H22ClFN5O+ MolecularWeight: 366.840883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C2=CN(N=N2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C2=CN(N=N2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H21ClFN5O/c18-14-5-4-6-15(19)13(14)11-24-12-16(21-22-24)17(25)20-7-10-23-8-2-1-3-9-23/h4-6,12H,1-3,7-11H2,(H,20,25)/p+1