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

Systemtic Name: [3-phenyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C26H27N4OS+ MolecularWeight: 443.58378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4OS/c31-26(29-15-13-28(14-16-29)19-23-12-7-17-32-23)24-20-30(18-21-8-3-1-4-9-21)27-25(24)22-10-5-2-6-11-22/h1-12,17,20H,13-16,18-19H2/p+1