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

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-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=C2Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=CC=C2Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20ClN3OS/c21-15-7-1-2-8-16(15)22-19(25)13-24-11-5-6-14(12-24)20-23-17-9-3-4-10-18(17)26-20/h1-4,7-10,14H,5-6,11-13H2,(H,22,25)/p+1/t14-/m0/s1