(1,3-diphenylpyrazol-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (1,3-diphenylpyrazol-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(1,3-diphenylpyrazol-4-yl)methanone CAS Name: (1,3-diphenyl-4-pyrazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(1,3-diphenylpyrazol-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(1,3-diphenylpyrazol-4-yl)methanone Formula: C27H27N4O+ MolecularWeight: 423.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O/c32-27(30-18-16-29(17-19-30)20-22-10-4-1-5-11-22)25-21-31(24-14-8-3-9-15-24)28-26(25)23-12-6-2-7-13-23/h1-15,21H,16-20H2/p+1