1,1-diethyl-4-methyl-1,2,4-triazolidin-1-ium-3,5-dione

Systemtic Name: 1,1-diethyl-4-methyl-1,2,4-triazolidin-1-ium-3,5-dione Openeye Name: 1,1-diethyl-4-methyl-1,2,4-triazolidin-1-ium-3,5-dione CAS Name: 1,1-diethyl-4-methyl-1,2,4-triazolidin-1-ium-3,5-dione IUPAC Name: 1,1-diethyl-4-methyl-1,2,4-triazolidin-1-ium-3,5-dione Traditional Name: 1,1-diethyl-4-methyl-1,2,4-triazolidin-1-ium-3,5-quinone Formula: C7H14N3O2+ MolecularWeight: 172.20496

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)N(C(=O)N1)C)CC

Isomeric SMILES

CC[N+]1(C(=O)N(C(=O)N1)C)CC

InChI

InChI=1S/C7H13N3O2/c1-4-10(5-2)7(12)9(3)6(11)8-10/h4-5H2,1-3H3/p+1