N,1-bis[(4-fluorophenyl)methyl]-5-oxidanylidene-3-(2-oxidanylidenepropyl)-2H-1,2,3-triazol-3-ium-4-carboxamide

Systemtic Name: N,1-bis[(4-fluorophenyl)methyl]-5-oxidanylidene-3-(2-oxidanylidenepropyl)-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-acetonyl-N,1-bis[(4-fluorophenyl)methyl]-5-oxo-2H-triazol-3-ium-4-carboxamide CAS Name: N,1-bis[(4-fluorophenyl)methyl]-5-oxo-3-(2-oxopropyl)-2H-triazol-3-ium-4-carboxamide IUPAC Name: N,1-bis[(4-fluorophenyl)methyl]-5-oxo-3-(2-oxopropyl)-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-acetonyl-N,1-bis(4-fluorobenzyl)-5-keto-2H-triazol-3-ium-4-carboxamide Formula: C20H19F2N4O3+ MolecularWeight: 401.386666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C(C(=O)N(N1)CC2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)C[N+]1=C(C(=O)N(N1)CC2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H18F2N4O3/c1-13(27)11-25-18(19(28)23-10-14-2-6-16(21)7-3-14)20(29)26(24-25)12-15-4-8-17(22)9-5-15/h2-9H,10-12H2,1H3,(H-,23,24,28,29)/p+1