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

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-propyl-acetamide Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCCC(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCNC(=O)C[NH+]1CCC[C@H](C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H23N3OS/c1-2-9-18-16(21)12-20-10-5-6-13(11-20)17-19-14-7-3-4-8-15(14)22-17/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,21)/p+1/t13-/m1/s1