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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22ClN3OS/c1-14-15(22)7-6-9-16(14)23-20(26)13-25-12-5-4-10-18(25)21-24-17-8-2-3-11-19(17)27-21/h2-3,6-9,11,18H,4-5,10,12-13H2,1H3,(H,23,26)/p+1/t18-/m1/s1