1-(1,3-benzothiazol-2-ylsulfanyl)-1-octyl-pyrrolidin-1-ium-2,5-dione

Systemtic Name: 1-(1,3-benzothiazol-2-ylsulfanyl)-1-octyl-pyrrolidin-1-ium-2,5-dione Openeye Name: 1-(1,3-benzothiazol-2-ylsulfanyl)-1-octyl-pyrrolidin-1-ium-2,5-dione CAS Name: 1-(1,3-benzothiazol-2-ylthio)-1-octylpyrrolidin-1-ium-2,5-dione IUPAC Name: 1-(1,3-benzothiazol-2-ylsulfanyl)-1-octylpyrrolidin-1-ium-2,5-dione Traditional Name: 1-(1,3-benzothiazol-2-ylthio)-1-octyl-pyrrolidin-1-ium-2,5-quinone Formula: C19H25N2O2S2+ MolecularWeight: 377.544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C(=O)CCC1=O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCC[N+]1(C(=O)CCC1=O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N2O2S2/c1-2-3-4-5-6-9-14-21(17(22)12-13-18(21)23)25-19-20-15-10-7-8-11-16(15)24-19/h7-8,10-11H,2-6,9,12-14H2,1H3/q+1