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

Systemtic Name: [3-phenyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(3-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=CSC=C2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

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