1-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]isatin Formula: C22H25N3O3+2 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CN4C5=CC=CC=C5C(=O)C4=O

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CN4C5=CC=CC=C5C(=O)C4=O

InChI

InChI=1S/C22H23N3O3/c26-21-18-3-1-2-4-19(18)25(22(21)27)15-24-10-8-23(9-11-24)14-16-5-6-20-17(13-16)7-12-28-20/h1-6,13H,7-12,14-15H2/p+2