4-tert-butyl-1H-1,2,4-triazol-4-ium

Systemtic Name: 4-tert-butyl-1H-1,2,4-triazol-4-ium Openeye Name: 4-tert-butyl-1H-1,2,4-triazol-4-ium CAS Name: 4-tert-butyl-1H-1,2,4-triazol-4-ium IUPAC Name: 4-tert-butyl-1H-1,2,4-triazol-4-ium Traditional Name: 4-tert-butyl-1H-1,2,4-triazol-4-ium Formula: C6H12N3+ MolecularWeight: 126.17958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=CNN=C1

Isomeric SMILES

CC(C)(C)[N+]1=CNN=C1

InChI

InChI=1S/C6H11N3/c1-6(2,3)9-4-7-8-5-9/h4-5H,1-3H3/p+1