1,1,2,4-tetracyclohexyl-1,2,4-triazolidin-1-ium-3,5-dione

Systemtic Name: 1,1,2,4-tetracyclohexyl-1,2,4-triazolidin-1-ium-3,5-dione Openeye Name: 1,1,2,4-tetracyclohexyl-1,2,4-triazolidin-1-ium-3,5-dione CAS Name: 1,1,2,4-tetracyclohexyl-1,2,4-triazolidin-1-ium-3,5-dione IUPAC Name: 1,1,2,4-tetracyclohexyl-1,2,4-triazolidin-1-ium-3,5-dione Traditional Name: 1,1,2,4-tetracyclohexyl-1,2,4-triazolidin-1-ium-3,5-quinone Formula: C26H44N3O2+ MolecularWeight: 430.64646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)N([N+](C2=O)(C3CCCCC3)C4CCCCC4)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)N2C(=O)N([N+](C2=O)(C3CCCCC3)C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C26H44N3O2/c30-25-27(21-13-5-1-6-14-21)26(31)29(23-17-9-3-10-18-23,24-19-11-4-12-20-24)28(25)22-15-7-2-8-16-22/h21-24H,1-20H2/q+1