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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[4-(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:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC(=O)NC4=CC=CC=C4

InChI

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