2-[1-(1-oxidanylidenepyrrolidin-1-ium-2-yl)ethyl]-1,2-thiazol-3-one

Systemtic Name: 2-[1-(1-oxidanylidenepyrrolidin-1-ium-2-yl)ethyl]-1,2-thiazol-3-one Openeye Name: 2-[1-(1-oxopyrrolidin-1-ium-2-yl)ethyl]isothiazol-3-one CAS Name: 2-[1-(1-oxo-2-pyrrolidin-1-iumyl)ethyl]-3-isothiazolone IUPAC Name: 2-[1-(1-oxopyrrolidin-1-ium-2-yl)ethyl]-1,2-thiazol-3-one Traditional Name: 2-[1-(1-ketopyrrolidin-1-ium-2-yl)ethyl]-4-isothiazolin-3-one Formula: C9H13N2O2S+ MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC[N+]1=O)N2C(=O)C=CS2

Isomeric SMILES

CC(C1CCC[N+]1=O)N2C(=O)C=CS2

InChI

InChI=1S/C9H13N2O2S/c1-7(8-3-2-5-10(8)13)11-9(12)4-6-14-11/h4,6-8H,2-3,5H2,1H3/q+1