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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(furan-2-ylmethyl)-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-benzyl-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-furanylmethyl)-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-benzyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-benzyl-N-(2-furfuryl)acetamide Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N(CC4=CC=CC=C4)CC5=CC=CO5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N(CC4=CC=CC=C4)CC5=CC=CO5

InChI

InChI=1S/C26H27N3O2S/c30-25(29(18-22-9-6-16-31-22)17-20-7-2-1-3-8-20)19-28-14-12-21(13-15-28)26-27-23-10-4-5-11-24(23)32-26/h1-11,16,21H,12-15,17-19H2/p+1