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

Systemtic Name: 2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C19H20N4O2/c24-17-9-5-4-8-16(17)23-12-10-22(11-13-23)14-18-20-19(21-25-18)15-6-2-1-3-7-15/h1-9,24H,10-14H2/p+1