2-(5-nitrofuran-2-yl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium

Systemtic Name: 2-(5-nitrofuran-2-yl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium Openeye Name: 1,3-dibenzyl-2-(5-nitro-2-furyl)hexahydropyrimidine-1,3-diium CAS Name: 2-(5-nitro-2-furanyl)-1,3-bis(phenylmethyl)-1,3-diazinane-1,3-diium IUPAC Name: 1,3-dibenzyl-2-(5-nitrofuran-2-yl)-1,3-diazinane-1,3-diium Traditional Name: 1,3-dibenzyl-2-(5-nitro-2-furyl)hexahydropyrimidine-1,3-diium Formula: C22H25N3O3+2 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C([NH+](C1)CC2=CC=CC=C2)C3=CC=C(O3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C([NH+](C1)CC2=CC=CC=C2)C3=CC=C(O3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

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