3-(4-methylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one hydrochloride

Systemtic Name: 3-(4-methylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one hydrochloride Openeye Name: 3-(p-tolyl)-1-(4-thiazol-2-ylpiperazin-1-yl)prop-2-yn-1-one hydrochloride CAS Name: 3-(4-methylphenyl)-1-[4-(2-thiazolyl)-1-piperazinyl]-2-propyn-1-one hydrochloride IUPAC Name: 3-(4-methylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one hydrochloride Traditional Name: 3-(p-tolyl)-1-(4-thiazol-2-ylpiperazino)prop-2-yn-1-one hydrochloride Formula: C17H18ClN3OS MolecularWeight: 347.86232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CS3.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CS3.Cl

InChI

InChI=1S/C17H17N3OS.ClH/c1-14-2-4-15(5-3-14)6-7-16(21)19-9-11-20(12-10-19)17-18-8-13-22-17;/h2-5,8,13H,9-12H2,1H3;1H