[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone Formula: C34H33N4O2+ MolecularWeight: 529.65142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H32N4O2/c1-40-30-19-17-26(18-20-30)32-31(25-38(35-32)29-15-9-4-10-16-29)34(39)37-23-21-36(22-24-37)33(27-11-5-2-6-12-27)28-13-7-3-8-14-28/h2-20,25,33H,21-24H2,1H3/p+1