5-nitro-3,7-bis(phenylmethyl)-1,3,7-triazoniabicyclo[3.3.1]nonane

Systemtic Name: 5-nitro-3,7-bis(phenylmethyl)-1,3,7-triazoniabicyclo[3.3.1]nonane Openeye Name: 3,7-dibenzyl-5-nitro-1,3,7-triazoniabicyclo[3.3.1]nonane CAS Name: 5-nitro-3,7-bis(phenylmethyl)-1,3,7-triazoniabicyclo[3.3.1]nonane IUPAC Name: 3,7-dibenzyl-5-nitro-1,3,7-triazoniabicyclo[3.3.1]nonane Traditional Name: 3,7-dibenzyl-5-nitro-1,3,7-triazoniabicyclo[3.3.1]nonane Formula: C20H27N4O2+3 MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(C[NH+](C[NH+]1C[NH+](C2)CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2(C[NH+](C[NH+]1C[NH+](C2)CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O2/c25-24(26)20-13-21(11-18-7-3-1-4-8-18)16-23(15-20)17-22(14-20)12-19-9-5-2-6-10-19/h1-10H,11-17H2/p+3