4-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H24N4O2/c1-17(2,3)16-18-15(23-19-16)12-20-8-10-21(11-9-20)13-4-6-14(22)7-5-13/h4-7,22H,8-12H2,1-3H3/p+1