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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC(=O)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC(=O)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(24-21(27)22-15-8-2-1-3-9-15)14-25-13-7-6-11-17(25)20-23-16-10-4-5-12-18(16)28-20/h1-5,8-10,12,17H,6-7,11,13-14H2,(H2,22,24,26,27)/p+1/t17-/m1/s1