2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethylthiazol-2-yl)acetamide CAS Name: 2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-(4,5-dimethyl-2-thiazolyl)acetamide IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethylthiazol-2-yl)acetamide Formula: C17H22ClN4OS+ MolecularWeight: 365.90078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C17H21ClN4OS/c1-12-13(2)24-17(19-12)20-16(23)11-21-7-9-22(10-8-21)15-6-4-3-5-14(15)18/h3-6H,7-11H2,1-2H3,(H,19,20,23)/p+1