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

Systemtic Name: (4-fluorophenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluorophenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C21H21FN3OS+ MolecularWeight: 382.474343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3OS/c22-18-8-6-17(7-9-18)21(26)25-12-10-24(11-13-25)14-19-15-27-20(23-19)16-4-2-1-3-5-16/h1-9,15H,10-14H2/p+1