4-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-4-ium-1-yl]phenol Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=NC(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=NC(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H24N4O2/c26-19-10-8-18(9-11-19)25-15-13-24(14-16-25)12-4-7-20-22-21(23-27-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,26H,4,7,12-16H2/p+1