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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-propargyl-acetamide Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+]1CCCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

C#CCNC(=O)C[NH+]1CCCC[C@@H]1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H19N3OS/c1-2-10-18-16(21)12-20-11-6-5-8-14(20)17-19-13-7-3-4-9-15(13)22-17/h1,3-4,7,9,14H,5-6,8,10-12H2,(H,18,21)/p+1/t14-/m1/s1