1-[4-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C28H29N4O+ MolecularWeight: 437.55606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O/c1-22(33)23-12-14-26(15-13-23)31-18-16-30(17-19-31)20-25-21-32(27-10-6-3-7-11-27)29-28(25)24-8-4-2-5-9-24/h2-15,21H,16-20H2,1H3/p+1