[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-pyrazol-1-ylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-pyrazol-1-ylphenyl)methanone Formula: C27H27N4O+ MolecularWeight: 423.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

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