(E)-1-phenyl-3-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridin-1-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridin-1-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridin-1-ium-1-yl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)-1-pyridin-1-iumyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridin-1-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridin-1-ium-1-yl]prop-2-en-1-one Formula: C22H17N4O+ MolecularWeight: 353.39658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)C3=C[N+](=CC=C3)C=CC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)C3=C[N+](=CC=C3)/C=C/C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17N4O/c27-20(17-8-3-1-4-9-17)13-15-26-14-7-12-19(16-26)22-23-21(24-25-22)18-10-5-2-6-11-18/h1-16H,(H,23,24,25)/q+1/b15-13+