1-[4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c1-18(27)20-7-9-21(10-8-20)25-13-11-24(12-14-25)16-19-15-23-26(17-19)22-5-3-2-4-6-22/h2-10,15,17H,11-14,16H2,1H3/p+1