4-bromanyl-2-fluoranyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-bromanyl-2-fluoranyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-bromo-2-fluoro-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 4-bromo-2-fluoro-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 4-bromo-2-fluoro-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-bromo-2-fluoro-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C16H18BrFN3OS+ MolecularWeight: 399.301023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H17BrFN3OS/c17-11-4-5-13(14(18)8-11)15(22)20-16-19-12(10-23-16)9-21-6-2-1-3-7-21/h4-5,8,10H,1-3,6-7,9H2,(H,19,20,22)/p+1