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

Systemtic Name: 4-butan-2-yl-2-(4-hydroxyphenyl)-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one Openeye Name: 2-(4-hydroxyphenyl)-4-(4-piperazin-1-ylphenyl)-4-sec-butyl-1,2,4-triazol-4-ium-3-one CAS Name: 4-butan-2-yl-2-(4-hydroxyphenyl)-4-[4-(1-piperazinyl)phenyl]-1,2,4-triazol-4-ium-3-one IUPAC Name: 4-butan-2-yl-2-(4-hydroxyphenyl)-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one Traditional Name: 2-(4-hydroxyphenyl)-4-(4-piperazinophenyl)-4-sec-butyl-1,2,4-triazol-4-ium-3-one Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+]1(C=NN(C1=O)C2=CC=C(C=C2)O)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

CCC(C)[N+]1(C=NN(C1=O)C2=CC=C(C=C2)O)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C22H27N5O2/c1-3-17(2)27(16-24-26(22(27)29)19-6-10-21(28)11-7-19)20-8-4-18(5-9-20)25-14-12-23-13-15-25/h4-11,16-17,23H,3,12-15H2,1-2H3/p+1