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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C20H23N3OS2/c24-19(21-11-10-15-6-5-13-25-15)14-23-12-4-3-8-17(23)20-22-16-7-1-2-9-18(16)26-20/h1-2,5-7,9,13,17H,3-4,8,10-12,14H2,(H,21,24)/p+1/t17-/m1/s1