2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[4-(2-furylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[4-(2-furanylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-phenylethanone bromide IUPAC Name: 2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[4-(2-furfurylamino)-1,2,4-triazol-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C15H15BrN4O2 MolecularWeight: 363.2092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CN(C=N2)NCC3=CC=CO3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CN(C=N2)NCC3=CC=CO3.[Br-]

InChI

InChI=1S/C15H15N4O2.BrH/c20-15(13-5-2-1-3-6-13)10-18-12-19(11-17-18)16-9-14-7-4-8-21-14;/h1-8,11-12,16H,9-10H2;1H/q+1;/p-1