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

Systemtic Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-N-ethyl-ethanamide Openeye Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-ethyl-acetamide CAS Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-ethylacetamide IUPAC Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-ethylacetamide Traditional Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-ethyl-acetamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-2-19-16(23)10-20-17(24)12-22-9-5-6-13(11-22)18-21-14-7-3-4-8-15(14)25-18/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,23)(H,20,24)/p+1/t13-/m1/s1