4-(4-methoxyphenyl)-2-(3-oxidanylidenebutan-2-yl)-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one

Systemtic Name: 4-(4-methoxyphenyl)-2-(3-oxidanylidenebutan-2-yl)-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one Openeye Name: 4-(4-methoxyphenyl)-2-(1-methyl-2-oxo-propyl)-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one CAS Name: 4-(4-methoxyphenyl)-2-(3-oxobutan-2-yl)-4-[4-(1-piperazinyl)phenyl]-1,2,4-triazol-4-ium-3-one IUPAC Name: 4-(4-methoxyphenyl)-2-(3-oxobutan-2-yl)-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one Traditional Name: 2-(2-keto-1-methyl-propyl)-4-(4-methoxyphenyl)-4-(4-piperazinophenyl)-1,2,4-triazol-4-ium-3-one Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C(=O)[N+](C=N1)(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)C)N1C(=O)[N+](C=N1)(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N5O3/c1-17(18(2)29)27-23(30)28(16-25-27,21-8-10-22(31-3)11-9-21)20-6-4-19(5-7-20)26-14-12-24-13-15-26/h4-11,16-17,24H,12-15H2,1-3H3/q+1