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

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide Formula: C19H25ClN3OS+ MolecularWeight: 378.9393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)C[NH+]3CCCCC3)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)C[NH+]3CCCCC3)C(=O)C)C

InChI

InChI=1S/C19H24ClN3OS/c1-13-9-14(2)18(17(20)10-13)23(15(3)24)19-21-16(12-25-19)11-22-7-5-4-6-8-22/h9-10,12H,4-8,11H2,1-3H3/p+1