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

Systemtic Name: 1-[4-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-phenylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-phenyl-5-isoxazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(3-phenylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c1-17(26)18-7-9-20(10-8-18)25-13-11-24(12-14-25)16-21-15-22(23-27-21)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3/p+1