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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-cyanoethyl)-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-furfuryl)acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N(CCC#N)CC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N(CCC#N)CC4=CC=CO4

InChI

InChI=1S/C22H24N4O2S/c23-10-4-11-26(15-18-5-3-14-28-18)21(27)16-25-12-8-17(9-13-25)22-24-19-6-1-2-7-20(19)29-22/h1-3,5-7,14,17H,4,8-9,11-13,15-16H2/p+1