2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]isoindole-5-carboxamide

Systemtic Name: 2-(furan-2-ylmethyl)-1,3-bis(oxidanylidene)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]isoindole-5-carboxamide Openeye Name: 2-(2-furylmethyl)-1,3-dioxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoindoline-5-carboxamide CAS Name: 2-(2-furanylmethyl)-1,3-dioxo-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-5-isoindolecarboxamide IUPAC Name: 2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]isoindole-5-carboxamide Traditional Name: 2-(2-furfuryl)-1,3-diketo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoindoline-5-carboxamide Formula: C24H24N3O4S+ MolecularWeight: 450.53006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4)C5=CC=CS5

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4)C5=CC=CS5

InChI

InChI=1S/C24H23N3O4S/c28-22(25-14-20(21-6-4-12-32-21)26-9-1-2-10-26)16-7-8-18-19(13-16)24(30)27(23(18)29)15-17-5-3-11-31-17/h3-8,11-13,20H,1-2,9-10,14-15H2,(H,25,28)/p+1/t20-/m0/s1