(2,5-diphenylpyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,5-diphenylpyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2,5-diphenylpyrazol-3-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2,5-diphenyl-3-pyrazolyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2,5-diphenylpyrazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2,5-diphenylpyrazol-3-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C26H26N5O+ MolecularWeight: 424.51754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O/c32-26(30-17-15-29(16-18-30)20-21-11-13-27-14-12-21)25-19-24(22-7-3-1-4-8-22)28-31(25)23-9-5-2-6-10-23/h1-14,19H,15-18,20H2/p+1