2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-6-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide CAS Name: 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]acetamide IUPAC Name: 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(4-bromo-2-chloro-6-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide Formula: C18H22BrClN3O2S+ MolecularWeight: 459.80818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)Cl)Br

InChI

InChI=1S/C18H21BrClN3O2S/c1-12-7-13(19)8-15(20)17(12)25-10-16(24)22-18-21-14(11-26-18)9-23-5-3-2-4-6-23/h7-8,11H,2-6,9-10H2,1H3,(H,21,22,24)/p+1