2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H23N3O3/c26-21-18-3-1-2-4-19(18)22(27)25(21)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+1