[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanone Formula: C31H29N4OS+ MolecularWeight: 505.65316

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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=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C31H28N4OS/c36-31(27-23-35(26-15-8-3-9-16-26)32-29(27)28-17-10-22-37-28)34-20-18-33(19-21-34)30(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-17,22-23,30H,18-21H2/p+1