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

Systemtic Name: 5-bromanyl-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-bromo-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]isatin Formula: C17H16BrN2O2S+ MolecularWeight: 392.29014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O)C4=CC=CS4

InChI

InChI=1S/C17H15BrN2O2S/c18-11-5-6-13-12(9-11)16(21)17(22)20(13)10-19-7-1-3-14(19)15-4-2-8-23-15/h2,4-6,8-9,14H,1,3,7,10H2/p+1/t14-/m1/s1