4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carbaldehyde Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)C=O

InChI

InChI=1S/C21H22N4O/c26-16-25-12-10-24(11-13-25)15-20-14-22-23-21(20)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H,22,23)/p+1