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

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(coumaran-5-ylmethyl)-4-(4-nitrobenzyl)piperazine-1,4-diium Formula: C20H25N3O3+2 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c24-23(25)19-4-1-16(2-5-19)14-21-8-10-22(11-9-21)15-17-3-6-20-18(13-17)7-12-26-20/h1-6,13H,7-12,14-15H2/p+2