2-(pyrrolidin-1-ylmethyl)-1-(1,2-thiazol-3-yl)butan-1-one hydrochloride

Systemtic Name: 2-(pyrrolidin-1-ylmethyl)-1-(1,2-thiazol-3-yl)butan-1-one hydrochloride Openeye Name: 1-isothiazol-3-yl-2-(pyrrolidin-1-ylmethyl)butan-1-one hydrochloride CAS Name: 1-(3-isothiazolyl)-2-(1-pyrrolidinylmethyl)-1-butanone hydrochloride IUPAC Name: 2-(pyrrolidin-1-ylmethyl)-1-(1,2-thiazol-3-yl)butan-1-one hydrochloride Traditional Name: 1-isothiazol-3-yl-2-(pyrrolidinomethyl)butan-1-one hydrochloride Formula: C12H19ClN2OS MolecularWeight: 274.81006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCCC1)C(=O)C2=NSC=C2.Cl

Isomeric SMILES

CCC(CN1CCCC1)C(=O)C2=NSC=C2.Cl

InChI

InChI=1S/C12H18N2OS.ClH/c1-2-10(9-14-6-3-4-7-14)12(15)11-5-8-16-13-11;/h5,8,10H,2-4,6-7,9H2,1H3;1H