1-[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,3-thiazol-3-ium-2-yl]ethyl ethanoate bromide

Systemtic Name: 1-[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,3-thiazol-3-ium-2-yl]ethyl ethanoate bromide Openeye Name: 1-[3-(2-oxo-2-pyrrolidin-1-yl-ethyl)thiazol-3-ium-2-yl]ethyl acetate bromide CAS Name: acetic acid 1-[3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-thiazol-3-iumyl]ethyl ester bromide IUPAC Name: 1-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-3-ium-2-yl]ethyl acetate bromide Traditional Name: acetic acid 1-[3-(2-keto-2-pyrrolidino-ethyl)thiazol-3-ium-2-yl]ethyl ester bromide Formula: C13H19BrN2O3S MolecularWeight: 363.27056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=[N+](C=CS1)CC(=O)N2CCCC2)OC(=O)C.[Br-]

Isomeric SMILES

CC(C1=[N+](C=CS1)CC(=O)N2CCCC2)OC(=O)C.[Br-]

InChI

InChI=1S/C13H19N2O3S.BrH/c1-10(18-11(2)16)13-15(7-8-19-13)9-12(17)14-5-3-4-6-14;/h7-8,10H,3-6,9H2,1-2H3;1H/q+1;/p-1