3-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: 3-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: 3-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide CAS Name: 3-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: 3-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: 3-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propionamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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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)CCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O/c24-22(29)10-11-27-12-14-28(15-13-27)17-21-16-25-26-23(21)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9,16H,10-15,17H2,(H2,24,29)(H,25,26)/p+1