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

Systemtic Name: 1-morpholin-4-yl-2-[4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]ethanone Formula: C24H28N5O3S+ MolecularWeight: 466.57582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N5O3S/c30-22(27-12-14-32-15-13-27)18-26-8-10-28(11-9-26)24(31)20-17-29(19-5-2-1-3-6-19)25-23(20)21-7-4-16-33-21/h1-7,16-17H,8-15,18H2/p+1