1,1-dimethyl-4-prop-2-enyl-1,2,4-triazolidin-1-ium-3,5-dione

Systemtic Name: 1,1-dimethyl-4-prop-2-enyl-1,2,4-triazolidin-1-ium-3,5-dione Openeye Name: 4-allyl-1,1-dimethyl-1,2,4-triazolidin-1-ium-3,5-dione CAS Name: 1,1-dimethyl-4-prop-2-enyl-1,2,4-triazolidin-1-ium-3,5-dione IUPAC Name: 1,1-dimethyl-4-prop-2-enyl-1,2,4-triazolidin-1-ium-3,5-dione Traditional Name: 4-allyl-1,1-dimethyl-1,2,4-triazolidin-1-ium-3,5-quinone Formula: C7H12N3O2+ MolecularWeight: 170.18908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11N3O2/c1-4-5-9-6(11)8-10(2,3)7(9)12/h4H,1,5H2,2-3H3/p+1