1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]pyrrolidine-2,5-dione Openeye Name: 1-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]pyrrolidine-2,5-dione CAS Name: 1-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]pyrrolidine-2,5-dione IUPAC Name: 1-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione Traditional Name: 1-[3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]pyrrolidine-2,5-quinone Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)CCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CC(=O)N(C1=O)CCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H25N3O4/c24-18(5-7-23-19(25)3-4-20(23)26)22-10-8-21(9-11-22)14-15-1-2-17-16(13-15)6-12-27-17/h1-2,13H,3-12,14H2/p+1