2-butan-2-yl-4-(3,5-dimethyl-4-oxidanyl-phenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one

Systemtic Name: 2-butan-2-yl-4-(3,5-dimethyl-4-oxidanyl-phenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one Openeye Name: 4-(4-hydroxy-3,5-dimethyl-phenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-2-sec-butyl-1,2,4-triazol-4-ium-3-one CAS Name: 2-butan-2-yl-4-(4-hydroxy-3,5-dimethylphenyl)-5-methyl-4-[4-(1-piperazinyl)phenyl]-1,2,4-triazol-4-ium-3-one IUPAC Name: 2-butan-2-yl-4-(4-hydroxy-3,5-dimethylphenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one Traditional Name: 4-(4-hydroxy-3,5-dimethyl-phenyl)-5-methyl-4-(4-piperazinophenyl)-2-sec-butyl-1,2,4-triazol-4-ium-3-one Formula: C25H34N5O2+ MolecularWeight: 436.56976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O2/c1-6-19(4)29-25(32)30(20(5)27-29,23-15-17(2)24(31)18(3)16-23)22-9-7-21(8-10-22)28-13-11-26-12-14-28/h7-10,15-16,19,26H,6,11-14H2,1-5H3/p+1