2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-bis(phenylmethyl)imidazolidine-1,3-diium

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-bis(phenylmethyl)imidazolidine-1,3-diium Openeye Name: 1,3-dibenzyl-2-(6-nitro-1,3-benzodioxol-5-yl)imidazolidine-1,3-diium CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-bis(phenylmethyl)imidazolidine-1,3-diium IUPAC Name: 1,3-dibenzyl-2-(6-nitro-1,3-benzodioxol-5-yl)imidazolidine-1,3-diium Traditional Name: 1,3-dibenzyl-2-(6-nitro-1,3-benzodioxol-5-yl)imidazolidine-1,3-diium Formula: C24H25N3O4+2 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C([NH+]1CC2=CC=CC=C2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C([NH+]1CC2=CC=CC=C2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N3O4/c28-27(29)21-14-23-22(30-17-31-23)13-20(21)24-25(15-18-7-3-1-4-8-18)11-12-26(24)16-19-9-5-2-6-10-19/h1-10,13-14,24H,11-12,15-17H2/p+2