N-(3-fluorophenyl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C22H24FN4OS+ MolecularWeight: 411.515563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H23FN4OS/c23-18-7-4-8-19(13-18)24-21(28)15-27-11-9-26(10-12-27)14-20-16-29-22(25-20)17-5-2-1-3-6-17/h1-8,13,16H,9-12,14-15H2,(H,24,28)/p+1