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

Systemtic Name: 4-[4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]phenol Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C(C)(C)C)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@@H](C1=NC(=NO1)C(C)(C)C)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H26N4O2/c1-13(16-19-17(20-24-16)18(2,3)4)21-9-11-22(12-10-21)14-5-7-15(23)8-6-14/h5-8,13,23H,9-12H2,1-4H3/p+1/t13-/m0/s1