N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-(3-fluorobenzyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C18H23FN5O+ MolecularWeight: 344.406523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1CC1NC(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C18H22FN5O/c19-14-3-1-2-13(10-14)11-23-8-6-16(7-9-23)24-12-17(21-22-24)18(25)20-15-4-5-15/h1-3,10,12,15-16H,4-9,11H2,(H,20,25)/p+1