2-azanyl-5-butyl-3-(2-oxidanylidene-2-thiophen-3-yl-ethyl)-1,3-thiazol-3-ium-4-one bromide

Systemtic Name: 2-azanyl-5-butyl-3-(2-oxidanylidene-2-thiophen-3-yl-ethyl)-1,3-thiazol-3-ium-4-one bromide Openeye Name: 2-amino-5-butyl-3-[2-oxo-2-(3-thienyl)ethyl]thiazol-3-ium-4-one bromide CAS Name: 2-amino-5-butyl-3-[2-oxo-2-(3-thiophenyl)ethyl]-4-thiazol-3-iumone bromide IUPAC Name: 2-amino-5-butyl-3-(2-oxo-2-thiophen-3-ylethyl)-1,3-thiazol-3-ium-4-one bromide Traditional Name: 2-amino-5-butyl-3-[2-keto-2-(3-thienyl)ethyl]-2-thiazolin-3-ium-4-one bromide Formula: C13H17BrN2O2S2 MolecularWeight: 377.32028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)[N+](=C(S1)N)CC(=O)C2=CSC=C2.[Br-]

Isomeric SMILES

CCCCC1C(=O)[N+](=C(S1)N)CC(=O)C2=CSC=C2.[Br-]

InChI

InChI=1S/C13H16N2O2S2.BrH/c1-2-3-4-11-12(17)15(13(14)19-11)7-10(16)9-5-6-18-8-9;/h5-6,8,11,14H,2-4,7H2,1H3;1H