2-azidoethanoate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium

Systemtic Name: 2-azidoethanoate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium Openeye Name: 2-azidoacetate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium CAS Name: 2-azidoacetate; 1-butyl-3-[[(2S)-2-pyrrolidinyl]methyl]imidazol-3-ium IUPAC Name: 2-azidoacetate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium Traditional Name: 2-azidoacetate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium Formula: C14H24N6O2 MolecularWeight: 308.37936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC2CCCN2.C(C(=O)[O-])N=[N+]=[N-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@@H]2CCCN2.C(C(=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C12H22N3.C2H3N3O2/c1-2-3-7-14-8-9-15(11-14)10-12-5-4-6-13-12;3-5-4-1-2(6)7/h8-9,11-13H,2-7,10H2,1H3;1H2,(H,6,7)/q+1;/p-1/t12-;/m0./s1