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

Systemtic Name: 1-[4-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[4-(1-pyrazolyl)phenyl]methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-pyrazol-1-ylbenzyl)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=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N4C=CC=N4

InChI

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