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

Systemtic Name: 2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-N-ethyl-ethanamide Openeye Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-ethyl-acetamide CAS Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-ethylacetamide IUPAC Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-ethylacetamide Traditional Name: 2-[[2-[(2R)-2-(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+]1CCCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-2-19-16(23)11-20-17(24)12-22-10-6-5-8-14(22)18-21-13-7-3-4-9-15(13)25-18/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,19,23)(H,20,24)/p+1/t14-/m1/s1