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

Systemtic Name: 5-nitro-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 5-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=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c21-16-12-6-5-11(20(23)24)9-13(12)17(22)19(16)10-18-7-1-3-14(18)15-4-2-8-25-15/h2,4-6,8-9,14H,1,3,7,10H2/p+1/t14-/m1/s1