2-(2-azanyl-5-propyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-3-yl-ethanone bromide

Systemtic Name: 2-(2-azanyl-5-propyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-3-yl-ethanone bromide Openeye Name: 2-(2-amino-5-propyl-thiazol-3-ium-3-yl)-1-(3-thienyl)ethanone bromide CAS Name: 2-(2-amino-5-propyl-3-thiazol-3-iumyl)-1-(3-thiophenyl)ethanone bromide IUPAC Name: 2-(2-amino-5-propyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-3-ylethanone bromide Traditional Name: 2-(2-amino-5-propyl-thiazol-3-ium-3-yl)-1-(3-thienyl)ethanone bromide Formula: C12H15BrN2OS2 MolecularWeight: 347.2943

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C[N+](=C(S1)N)CC(=O)C2=CSC=C2.[Br-]

Isomeric SMILES

CCCC1=C[N+](=C(S1)N)CC(=O)C2=CSC=C2.[Br-]

InChI

InChI=1S/C12H14N2OS2.BrH/c1-2-3-10-6-14(12(13)17-10)7-11(15)9-4-5-16-8-9;/h4-6,8,13H,2-3,7H2,1H3;1H