3-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-ium-1-yl]ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazin-1-iumyl]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-ium-1-yl]ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[(2R)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazin-1-ium-1-yl]ethyl]-1,3-benzoxazol-2-one Formula: C24H26N5O3+ MolecularWeight: 432.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CCN4C5=CC=CC=C5OC4=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CCN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C24H25N5O3/c1-16-21(17(2)29(26-16)18-8-4-3-5-9-18)22-23(30)25-12-13-27(22)14-15-28-19-10-6-7-11-20(19)32-24(28)31/h3-11,22H,12-15H2,1-2H3,(H,25,30)/p+1/t22-/m1/s1