2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H17N4O4S+ MolecularWeight: 409.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H16N4O4S/c25-19-12-5-3-7-14(24(27)28)17(12)20(26)23(19)11-22-10-4-8-15(22)18-21-13-6-1-2-9-16(13)29-18/h1-3,5-7,9,15H,4,8,10-11H2/p+1/t15-/m1/s1