4-phenyl-1-(1H-1,2,4-triazol-2-ium-2-yl)butan-2-one

Systemtic Name: 4-phenyl-1-(1H-1,2,4-triazol-2-ium-2-yl)butan-2-one Openeye Name: 4-phenyl-1-(1H-1,2,4-triazol-2-ium-2-yl)butan-2-one CAS Name: 4-phenyl-1-(1H-1,2,4-triazol-2-ium-2-yl)-2-butanone IUPAC Name: 4-phenyl-1-(1H-1,2,4-triazol-2-ium-2-yl)butan-2-one Traditional Name: 4-phenyl-1-(1H-1,2,4-triazol-2-ium-2-yl)butan-2-one Formula: C12H14N3O+ MolecularWeight: 216.25906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)C[N+]2=CN=CN2

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)C[N+]2=CN=CN2

InChI

InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2/p+1