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

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-chlorophenyl)ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-chlorophenyl)acetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-chlorophenyl)acetamide Formula: C20H21ClN3OS+ MolecularWeight: 386.91824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NC2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20ClN3OS/c21-15-6-3-7-16(11-15)22-19(25)13-24-10-4-5-14(12-24)20-23-17-8-1-2-9-18(17)26-20/h1-3,6-9,11,14H,4-5,10,12-13H2,(H,22,25)/p+1/t14-/m1/s1