1-[3-fluoranyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H23FN3OS+ MolecularWeight: 396.500923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H22FN3OS/c1-16(27)18-7-8-21(20(23)13-18)26-11-9-25(10-12-26)14-19-15-28-22(24-19)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3/p+1