2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloro-4-methylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chloro-4-methyl-phenyl)acetamide Formula: C21H23ClN3OS+ MolecularWeight: 400.94482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-14-6-7-17(16(22)12-14)23-20(26)13-25-10-8-15(9-11-25)21-24-18-4-2-3-5-19(18)27-21/h2-7,12,15H,8-11,13H2,1H3,(H,23,26)/p+1