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

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-bromanyl-2-fluoranyl-benzamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-4-bromo-2-fluoro-benzamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-4-bromo-2-fluorobenzamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-4-bromo-2-fluoro-benzamide Formula: C17H20BrFN3OS+ MolecularWeight: 413.327603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H19BrFN3OS/c18-12-5-6-14(15(19)9-12)16(23)21-17-20-13(11-24-17)10-22-7-3-1-2-4-8-22/h5-6,9,11H,1-4,7-8,10H2,(H,20,21,23)/p+1