(E)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-but-2-en-1-one

Systemtic Name: (E)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-but-2-en-1-one Openeye Name: (E)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-but-2-en-1-one CAS Name: (E)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-2-buten-1-one IUPAC Name: (E)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)-1-phenylbut-2-en-1-one Traditional Name: (E)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-but-2-en-1-one Formula: C13H14N3O+ MolecularWeight: 228.26976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC=CC=C1)N2C=[N+](C=N2)C

Isomeric SMILES

C/C(=C\C(=O)C1=CC=CC=C1)/N2C=[N+](C=N2)C

InChI

InChI=1S/C13H14N3O/c1-11(16-10-15(2)9-14-16)8-13(17)12-6-4-3-5-7-12/h3-10H,1-2H3/q+1/b11-8+