3-(2-isocyanoethyl)-1,4,5-trimethyl-1,2,4-triazol-4-ium

Systemtic Name: 3-(2-isocyanoethyl)-1,4,5-trimethyl-1,2,4-triazol-4-ium Openeye Name: 3-(2-isocyanoethyl)-1,4,5-trimethyl-1,2,4-triazol-4-ium CAS Name: 3-(2-isocyanoethyl)-1,4,5-trimethyl-1,2,4-triazol-4-ium IUPAC Name: 3-(2-isocyanoethyl)-1,4,5-trimethyl-1,2,4-triazol-4-ium Traditional Name: 3-(2-isocyanoethyl)-1,4,5-trimethyl-1,2,4-triazol-4-ium Formula: C8H13N4+ MolecularWeight: 165.21562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C)CC[N+]#[C-])C

Isomeric SMILES

CC1=[N+](C(=NN1C)CC[N+]#[C-])C

InChI

InChI=1S/C8H13N4/c1-7-11(3)8(5-6-9-2)10-12(7)4/h5-6H2,1,3-4H3/q+1