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

Systemtic Name: (2S)-2-azido-3-methyl-butanoate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium Openeye Name: (2S)-2-azido-3-methyl-butanoate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium CAS Name: (2S)-2-azido-3-methylbutanoate; 1-butyl-3-[[(2S)-2-pyrrolidinyl]methyl]imidazol-3-ium IUPAC Name: (2S)-2-azido-3-methylbutanoate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium Traditional Name: (2S)-2-azido-3-methyl-butyrate; 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium Formula: C17H30N6O2 MolecularWeight: 350.4591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N3.C5H9N3O2/c1-2-3-7-14-8-9-15(11-14)10-12-5-4-6-13-12;1-3(2)4(5(9)10)7-8-6/h8-9,11-13H,2-7,10H2,1H3;3-4H,1-2H3,(H,9,10)/q+1;/p-1/t12-;4-/m00/s1