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

Systemtic Name: 1-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

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