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

Systemtic Name: 2-butan-2-yl-4-(4-hydroxyphenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one Openeye Name: 4-(4-hydroxyphenyl)-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-hydroxyphenyl)-5-methyl-4-[4-(1-piperazinyl)phenyl]-1,2,4-triazol-4-ium-3-one IUPAC Name: 2-butan-2-yl-4-(4-hydroxyphenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one Traditional Name: 4-(4-hydroxyphenyl)-5-methyl-4-(4-piperazinophenyl)-2-sec-butyl-1,2,4-triazol-4-ium-3-one Formula: C23H30N5O2+ MolecularWeight: 408.5166

Click to see the large picture

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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2/c1-4-17(2)27-23(30)28(18(3)25-27,21-9-11-22(29)12-10-21)20-7-5-19(6-8-20)26-15-13-24-14-16-26/h5-12,17,24H,4,13-16H2,1-3H3/p+1