N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C17H22ClN4OS+ MolecularWeight: 365.90078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3)C

InChI

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