4-[(3-nitro-1,2,4-triazol-1-yl)methyl]morpholin-4-ium

Systemtic Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]morpholin-4-ium Openeye Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]morpholin-4-ium CAS Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]morpholin-4-ium IUPAC Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]morpholin-4-ium Traditional Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]morpholin-4-ium Formula: C7H12N5O3+ MolecularWeight: 214.20188

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C7H11N5O3/c13-12(14)7-8-5-11(9-7)6-10-1-3-15-4-2-10/h5H,1-4,6H2/p+1