1-(4-fluorophenyl)-5-methyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-5-methyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-1,2,4-triazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-5-methyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-1,2,4-triazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-5-methyl-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(4-fluorophenyl)-5-methyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-1,2,4-triazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-5-methyl-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]-1,2,4-triazole-3-carboxamide Formula: C20H22FN6O+ MolecularWeight: 381.426683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

InChI

InChI=1S/C20H21FN6O/c1-14-24-19(25-27(14)17-7-5-16(21)6-8-17)20(28)23-13-15-4-9-18(22-12-15)26-10-2-3-11-26/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,28)/p+1