1,3-bis[(4-methoxyphenyl)methyl]-2-(5-nitrofuran-2-yl)-1,3-diazinane-1,3-diium

Systemtic Name: 1,3-bis[(4-methoxyphenyl)methyl]-2-(5-nitrofuran-2-yl)-1,3-diazinane-1,3-diium Openeye Name: 1,3-bis[(4-methoxyphenyl)methyl]-2-(5-nitro-2-furyl)hexahydropyrimidine-1,3-diium CAS Name: 1,3-bis[(4-methoxyphenyl)methyl]-2-(5-nitro-2-furanyl)-1,3-diazinane-1,3-diium IUPAC Name: 1,3-bis[(4-methoxyphenyl)methyl]-2-(5-nitrofuran-2-yl)-1,3-diazinane-1,3-diium Traditional Name: 2-(5-nitro-2-furyl)-1,3-bis(p-anisyl)hexahydropyrimidine-1,3-diium Formula: C24H29N3O5+2 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCC[NH+](C2C3=CC=C(O3)[N+](=O)[O-])CC4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCC[NH+](C2C3=CC=C(O3)[N+](=O)[O-])CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H27N3O5/c1-30-20-8-4-18(5-9-20)16-25-14-3-15-26(17-19-6-10-21(31-2)11-7-19)24(25)22-12-13-23(32-22)27(28)29/h4-13,24H,3,14-17H2,1-2H3/p+2