2-(2-ethyl-4-methyl-1,3-thiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-(2-ethyl-4-methyl-1,3-thiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(2-ethyl-4-methyl-thiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(2-ethyl-4-methyl-3-thiazol-3-iumyl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(2-ethyl-4-methyl-1,3-thiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(2-ethyl-4-methyl-thiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=CS1)C)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCC1=[N+](C(=CS1)C)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C14H15N2O3S.BrH/c1-3-14-15(10(2)9-20-14)8-13(17)11-5-4-6-12(7-11)16(18)19;/h4-7,9H,3,8H2,1-2H3;1H/q+1;/p-1