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

Systemtic Name: 2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-[4-(2-furylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[4-(2-furanylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[4-(2-furfurylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(C=N2)NCC3=CC=CO3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(C=N2)NCC3=CC=CO3.[Br-]

InChI

InChI=1S/C16H17N4O3.BrH/c1-22-14-6-4-13(5-7-14)16(21)10-19-12-20(11-18-19)17-9-15-3-2-8-23-15;/h2-8,11-12,17H,9-10H2,1H3;1H/q+1;/p-1