N-(3-fluoranyl-4-methyl-phenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)carbonyl-5-thiophen-2-yl-pyrazol-1-yl]ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-5-thiophen-2-yl-1-pyrazolyl]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[3-(4-methylpiperazin-4-ium-1-carbonyl)-5-(2-thienyl)pyrazol-1-yl]acetamide Formula: C22H25FN5O2S+ MolecularWeight: 442.529603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=CC(=N2)C(=O)N3CC[NH+](CC3)C)C4=CC=CS4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=CC(=N2)C(=O)N3CC[NH+](CC3)C)C4=CC=CS4)F

InChI

InChI=1S/C22H24FN5O2S/c1-15-5-6-16(12-17(15)23)24-21(29)14-28-19(20-4-3-11-31-20)13-18(25-28)22(30)27-9-7-26(2)8-10-27/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,29)/p+1