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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-furfurylcarbamoyl)acetamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC(=O)NCC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC(=O)NCC4=CC=CO4

InChI

InChI=1S/C20H22N4O3S/c25-18(23-20(26)21-12-15-4-3-11-27-15)13-24-9-7-14(8-10-24)19-22-16-5-1-2-6-17(16)28-19/h1-6,11,14H,7-10,12-13H2,(H2,21,23,25,26)/p+1