2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-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=C(C=C1)NC(=O)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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