4-[4-[4-(2-butan-2-yl-3-oxidanylidene-4H-1,2,3-triazol-3-ium-4-yl)phenyl]piperazin-1-yl]phenol

Systemtic Name: 4-[4-[4-(2-butan-2-yl-3-oxidanylidene-4H-1,2,3-triazol-3-ium-4-yl)phenyl]piperazin-1-yl]phenol Openeye Name: 4-[4-[4-(3-oxo-2-sec-butyl-4H-triazol-3-ium-4-yl)phenyl]piperazin-1-yl]phenol CAS Name: 4-[4-[4-(2-butan-2-yl-3-oxo-4H-triazol-3-ium-4-yl)phenyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-[4-(2-butan-2-yl-3-oxo-4H-triazol-3-ium-4-yl)phenyl]piperazin-1-yl]phenol Traditional Name: 4-[4-[4-(3-keto-2-sec-butyl-4H-triazol-3-ium-4-yl)phenyl]piperazino]phenol Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1N=CC([N+]1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CCC(C)N1N=CC([N+]1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

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