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

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-fluoro-benzamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-2-fluorobenzamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-fluorobenzamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-fluoro-benzamide Formula: C17H21FN3OS+ MolecularWeight: 334.431543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C17H20FN3OS/c18-15-8-4-3-7-14(15)16(22)20-17-19-13(12-23-17)11-21-9-5-1-2-6-10-21/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,19,20,22)/p+1