5-[(2R)-1-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2R)-1-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2R)-1-(3-isoindolin-2-ium-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2R)-1-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-1-oxopropyl]-2-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2R)-1-[3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2R)-1-(3-isoindolin-2-ium-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC[NH+]2CC3=CC=CC=C3C2)C4=CC=C(S4)C(=O)N

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CC[NH+]2CC3=CC=CC=C3C2)C4=CC=C(S4)C(=O)N

InChI

InChI=1S/C20H23N3O2S/c21-20(25)18-8-7-17(26-18)16-6-3-10-23(16)19(24)9-11-22-12-14-4-1-2-5-15(14)13-22/h1-2,4-5,7-8,16H,3,6,9-13H2,(H2,21,25)/p+1/t16-/m1/s1