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

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-(3-fluorophenyl)ethanamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-(3-fluorophenyl)acetamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-2-(3-fluorophenyl)acetamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-(3-fluorophenyl)acetamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-(3-fluorophenyl)acetamide Formula: C18H23FN3OS+ MolecularWeight: 348.458123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H22FN3OS/c19-15-7-5-6-14(10-15)11-17(23)21-18-20-16(13-24-18)12-22-8-3-1-2-4-9-22/h5-7,10,13H,1-4,8-9,11-12H2,(H,20,21,23)/p+1