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

Systemtic Name: 2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[4-(2-furylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[4-(2-furanylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[4-(furan-2-ylmethylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[4-(2-furfurylamino)-1,2,4-triazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Formula: C21H19N4O2+ MolecularWeight: 359.40116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CN(C=N3)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CN(C=N3)NCC4=CC=CO4

InChI

InChI=1S/C21H19N4O2/c26-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)14-24-16-25(15-23-24)22-13-20-7-4-12-27-20/h1-12,15-16,22H,13-14H2/q+1