3-(4-methylphenyl)-3-(1-piperidin-2-ylethoxy)-1-thiophen-2-yl-propan-1-one hydrochloride

Systemtic Name: 3-(4-methylphenyl)-3-(1-piperidin-2-ylethoxy)-1-thiophen-2-yl-propan-1-one hydrochloride Openeye Name: 3-[1-(2-piperidyl)ethoxy]-3-(p-tolyl)-1-(2-thienyl)propan-1-one hydrochloride CAS Name: 3-(4-methylphenyl)-3-[1-(2-piperidinyl)ethoxy]-1-thiophen-2-yl-1-propanone hydrochloride IUPAC Name: 3-(4-methylphenyl)-3-(1-piperidin-2-ylethoxy)-1-thiophen-2-ylpropan-1-one hydrochloride Traditional Name: 3-[1-(2-piperidyl)ethoxy]-3-(p-tolyl)-1-(2-thienyl)propan-1-one hydrochloride Formula: C21H28ClNO2S MolecularWeight: 393.97052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)OC(C)C3CCCCN3.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)OC(C)C3CCCCN3.Cl

InChI

InChI=1S/C21H27NO2S.ClH/c1-15-8-10-17(11-9-15)20(14-19(23)21-7-5-13-25-21)24-16(2)18-6-3-4-12-22-18;/h5,7-11,13,16,18,20,22H,3-4,6,12,14H2,1-2H3;1H