(3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[(2-phenyl-4-thiazolyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-2-one Formula: C25H26N5OS+ MolecularWeight: 444.57184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5OS/c1-17-22(18(2)30(28-17)21-11-7-4-8-12-21)23-24(31)26-13-14-29(23)15-20-16-32-25(27-20)19-9-5-3-6-10-19/h3-12,16,23H,13-15H2,1-2H3,(H,26,31)/p+1/t23-/m1/s1