4-[(3-methylimidazol-3-ium-1-yl)methyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3-triazole

Systemtic Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3-triazole Openeye Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole CAS Name: 4-[(3-methyl-1-imidazol-3-iumyl)methyl]-1-[[(2S)-2-pyrrolidinyl]methyl]triazole IUPAC Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole Traditional Name: 4-[(3-methylimidazol-3-ium-1-yl)methyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole Formula: C12H19N6+ MolecularWeight: 247.31946

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CN(N=N2)CC3CCCN3

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CN(N=N2)C[C@@H]3CCCN3

InChI

InChI=1S/C12H19N6/c1-16-5-6-17(10-16)7-12-9-18(15-14-12)8-11-3-2-4-13-11/h5-6,9-11,13H,2-4,7-8H2,1H3/q+1/t11-/m0/s1