2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C22H27ClN5O2S+ MolecularWeight: 461.00008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C22H26ClN5O2S/c1-16-21(22(30)28(25(16)2)17-6-4-3-5-7-17)24-20(29)15-27-12-10-26(11-13-27)14-18-8-9-19(23)31-18/h3-9H,10-15H2,1-2H3,(H,24,29)/p+1