2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(3-chloro-4-cyanophenyl)acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C21H20ClN4OS+ MolecularWeight: 411.9277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4OS/c22-17-10-16(8-7-14(17)11-23)24-20(27)13-26-9-3-4-15(12-26)21-25-18-5-1-2-6-19(18)28-21/h1-2,5-8,10,15H,3-4,9,12-13H2,(H,24,27)/p+1/t15-/m0/s1