1-(3-phenyl-1,2-thiazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one hydrochloride

Systemtic Name: 1-(3-phenyl-1,2-thiazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one hydrochloride Openeye Name: 1-(3-phenylisothiazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one hydrochloride CAS Name: 1-(3-phenyl-5-isothiazolyl)-2-(1-pyrrolidinylmethyl)-1-butanone hydrochloride IUPAC Name: 1-(3-phenyl-1,2-thiazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one hydrochloride Traditional Name: 1-(3-phenylisothiazol-5-yl)-2-(pyrrolidinomethyl)butan-1-one hydrochloride Formula: C18H23ClN2OS MolecularWeight: 350.90602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCCC1)C(=O)C2=CC(=NS2)C3=CC=CC=C3.Cl

Isomeric SMILES

CCC(CN1CCCC1)C(=O)C2=CC(=NS2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C18H22N2OS.ClH/c1-2-14(13-20-10-6-7-11-20)18(21)17-12-16(19-22-17)15-8-4-3-5-9-15;/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3;1H