2-[2-azanyl-5-(naphthalen-1-ylmethyl)-1,3-thiazol-3-ium-3-yl]-1-(4-fluorophenyl)ethanone bromide

Systemtic Name: 2-[2-azanyl-5-(naphthalen-1-ylmethyl)-1,3-thiazol-3-ium-3-yl]-1-(4-fluorophenyl)ethanone bromide Openeye Name: 2-[2-amino-5-(1-naphthylmethyl)thiazol-3-ium-3-yl]-1-(4-fluorophenyl)ethanone bromide CAS Name: 2-[2-amino-5-(1-naphthalenylmethyl)-3-thiazol-3-iumyl]-1-(4-fluorophenyl)ethanone bromide IUPAC Name: 2-[2-amino-5-(naphthalen-1-ylmethyl)-1,3-thiazol-3-ium-3-yl]-1-(4-fluorophenyl)ethanone bromide Traditional Name: 2-[2-amino-5-(1-naphthylmethyl)thiazol-3-ium-3-yl]-1-(4-fluorophenyl)ethanone bromide Formula: C22H18BrFN2OS MolecularWeight: 457.358523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=C[N+](=C(S3)N)CC(=O)C4=CC=C(C=C4)F.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=C[N+](=C(S3)N)CC(=O)C4=CC=C(C=C4)F.[Br-]

InChI

InChI=1S/C22H17FN2OS.BrH/c23-18-10-8-16(9-11-18)21(26)14-25-13-19(27-22(25)24)12-17-6-3-5-15-4-1-2-7-20(15)17;/h1-11,13,24H,12,14H2;1H