1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium Formula: C20H25N3O4+2 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H23N3O4/c24-23(25)19-10-17(20-18(11-19)14-26-15-27-20)13-22-8-6-21(7-9-22)12-16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-15H2/p+2