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

Systemtic Name: 2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-propyl-acetamide CAS Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-propyl-acetamide Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C[NH+]1CCCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S/c1-2-10-20-17(24)12-21-18(25)13-23-11-6-5-8-15(23)19-22-14-7-3-4-9-16(14)26-19/h3-4,7,9,15H,2,5-6,8,10-13H2,1H3,(H,20,24)(H,21,25)/p+1/t15-/m1/s1