3-methyl-4-(nitromethyl)-4-propyl-1,2,4-triazol-4-ium

Systemtic Name: 3-methyl-4-(nitromethyl)-4-propyl-1,2,4-triazol-4-ium Openeye Name: 3-methyl-4-(nitromethyl)-4-propyl-1,2,4-triazol-4-ium CAS Name: 3-methyl-4-(nitromethyl)-4-propyl-1,2,4-triazol-4-ium IUPAC Name: 3-methyl-4-(nitromethyl)-4-propyl-1,2,4-triazol-4-ium Traditional Name: 3-methyl-4-(nitromethyl)-4-propyl-1,2,4-triazol-4-ium Formula: C7H13N4O2+ MolecularWeight: 185.20372

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=NN=C1C)C[N+](=O)[O-]

Isomeric SMILES

CCC[N+]1(C=NN=C1C)C[N+](=O)[O-]

InChI

InChI=1S/C7H13N4O2/c1-3-4-11(6-10(12)13)5-8-9-7(11)2/h5H,3-4,6H2,1-2H3/q+1