1-[(3-ethyl-2H-1,3-benzothiazol-3-ium-3-yl)methyl]pyrrolidin-2-one chloride

Systemtic Name: 1-[(3-ethyl-2H-1,3-benzothiazol-3-ium-3-yl)methyl]pyrrolidin-2-one chloride Openeye Name: 1-[(3-ethyl-2H-1,3-benzothiazol-3-ium-3-yl)methyl]pyrrolidin-2-one chloride CAS Name: 1-[(3-ethyl-2H-1,3-benzothiazol-3-ium-3-yl)methyl]-2-pyrrolidinone chloride IUPAC Name: 1-[(3-ethyl-2H-1,3-benzothiazol-3-ium-3-yl)methyl]pyrrolidin-2-one chloride Traditional Name: 1-[(3-ethyl-2H-1,3-benzothiazol-3-ium-3-yl)methyl]-2-pyrrolidone chloride Formula: C14H19ClN2OS MolecularWeight: 298.83146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CSC2=CC=CC=C21)CN3CCCC3=O.[Cl-]

Isomeric SMILES

CC[N+]1(CSC2=CC=CC=C21)CN3CCCC3=O.[Cl-]

InChI

InChI=1S/C14H19N2OS.ClH/c1-2-16(10-15-9-5-8-14(15)17)11-18-13-7-4-3-6-12(13)16;/h3-4,6-7H,2,5,8-11H2,1H3;1H/q+1;/p-1