4-[4-(1,2-oxazol-5-ylmethyl)piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-(1,2-oxazol-5-ylmethyl)piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-(isoxazol-5-ylmethyl)piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-(5-isoxazolylmethyl)-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-(1,2-oxazol-5-ylmethyl)piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(isoxazol-5-ylmethyl)piperazin-4-ium-1-yl]phenol Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NO2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NO2)C3=CC=C(C=C3)O

InChI

InChI=1S/C14H17N3O2/c18-13-3-1-12(2-4-13)17-9-7-16(8-10-17)11-14-5-6-15-19-14/h1-6,18H,7-11H2/p+1