1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium Traditional Name: 1-(coumaran-5-ylmethyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium Formula: C22H27N3O5+2 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C22H25N3O5/c26-25(27)20-10-18(22-19(11-20)14-28-15-30-22)13-24-6-4-23(5-7-24)12-16-1-2-21-17(9-16)3-8-29-21/h1-2,9-11H,3-8,12-15H2/p+2