2-[4-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C20H23N2O2S+ MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C20H22N2O2S/c23-19-15-7-1-2-8-16(15)20(24)22(19)13-4-3-11-21-12-5-9-17(21)18-10-6-14-25-18/h1-2,6-8,10,14,17H,3-5,9,11-13H2/p+1/t17-/m0/s1