2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H27N5OS/c1-18-23(19(2)28(25-18)21-6-4-3-5-7-21)30-17-22(29)27-14-12-26(13-15-27)16-20-8-10-24-11-9-20/h3-11H,12-17H2,1-2H3/p+1