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

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

CCCCC1=NOC(=N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CCCCC1=NOC(=N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H24N4O2/c1-2-3-4-16-18-17(23-19-16)13-20-9-11-21(12-10-20)14-5-7-15(22)8-6-14/h5-8,22H,2-4,9-13H2,1H3/p+1