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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-ethanoylphenyl)ethanamide Openeye Name: N-(2-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O2S/c1-15(26)16-8-2-3-9-17(16)23-21(27)14-25-13-7-6-11-19(25)22-24-18-10-4-5-12-20(18)28-22/h2-5,8-10,12,19H,6-7,11,13-14H2,1H3,(H,23,27)/p+1/t19-/m1/s1