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

Systemtic Name: 4-nitro-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C17H16N3O4S+ MolecularWeight: 358.39164

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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=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C17H15N3O4S/c21-16-11-4-1-5-13(20(23)24)15(11)17(22)19(16)10-18-8-2-6-12(18)14-7-3-9-25-14/h1,3-5,7,9,12H,2,6,8,10H2/p+1/t12-/m1/s1