1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[[5-(4-nitrophenyl)-2-furyl]methyl]piperazine-1,4-diium CAS Name: 1-[[5-(4-nitrophenyl)-2-furanyl]methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[[5-(4-nitrophenyl)furan-2-yl]methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[[5-(4-nitrophenyl)-2-furyl]methyl]piperazine-1,4-diium Formula: C22H25N3O3+2 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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