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

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-bromo-4-fluoro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-bromo-4-fluorophenyl)-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-bromo-4-fluorophenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-bromo-4-fluoro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C21H20BrFN3OS+ MolecularWeight: 461.370403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrFN3OS/c22-19-12-16(23)6-7-18(19)21(27)26-10-8-25(9-11-26)13-17-14-28-20(24-17)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2/p+1