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

Systemtic Name: 2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-methyl-ethanamide Openeye Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methyl-acetamide CAS Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N-methylacetamide IUPAC Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methylacetamide Traditional Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methyl-acetamide Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)C[NH+]1CCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S/c1-17-14(21)9-18-15(22)10-20-8-4-6-12(20)16-19-11-5-2-3-7-13(11)23-16/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,17,21)(H,18,22)/p+1/t12-/m1/s1