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

Systemtic Name: 2-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(3-phenylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(3-phenyl-5-isoxazolyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(3-phenylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2/c24-20-9-5-4-8-19(20)23-12-10-22(11-13-23)15-17-14-18(21-25-17)16-6-2-1-3-7-16/h1-9,14,24H,10-13,15H2/p+1