[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: [(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c1-23-12-13-24(20(16-23)17-8-4-2-5-9-17)21(26)18-14-22-25(15-18)19-10-6-3-7-11-19/h2-11,14-15,20H,12-13,16H2,1H3/p+1/t20-/m0/s1