2-[4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C24H28N5O2S+ MolecularWeight: 450.57642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N5O2S/c30-22(27-10-4-5-11-27)18-26-12-14-28(15-13-26)24(31)20-17-29(19-7-2-1-3-8-19)25-23(20)21-9-6-16-32-21/h1-3,6-9,16-17H,4-5,10-15,18H2/p+1