2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-1-[(5S)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C28H31N4O+ MolecularWeight: 439.57194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(CC=N2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](CC=N2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O/c33-27(32-26(16-17-29-32)23-10-4-1-5-11-23)22-30-18-20-31(21-19-30)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,17,26,28H,16,18-22H2/p+1/t26-/m0/s1