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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(4-methoxy-1-phenyl-3-pyrazolyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CN(N=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-34-25-21-32(24-15-9-4-10-16-24)29-26(25)28(33)31-19-17-30(18-20-31)27(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,21,27H,17-20H2,1H3/p+1