(2S)-2-azanyl-3-methyl-butanoate; 1-ethyl-3-methyl-imidazol-3-ium

Systemtic Name: (2S)-2-azanyl-3-methyl-butanoate; 1-ethyl-3-methyl-imidazol-3-ium Openeye Name: (2S)-2-amino-3-methyl-butanoate; 1-ethyl-3-methyl-imidazol-3-ium CAS Name: (2S)-2-amino-3-methylbutanoate; 1-ethyl-3-methylimidazol-3-ium IUPAC Name: (2S)-2-amino-3-methylbutanoate; 1-ethyl-3-methylimidazol-3-ium Traditional Name: (2S)-2-amino-3-methyl-butyrate; 1-ethyl-3-methyl-imidazol-3-ium Formula: C11H21N3O2 MolecularWeight: 227.30334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C[N+](=C1)C.CC(C)C(C(=O)[O-])N

Isomeric SMILES

CCN1C=C[N+](=C1)C.CC(C)[C@@H](C(=O)[O-])N

InChI

InChI=1S/C6H11N2.C5H11NO2/c1-3-8-5-4-7(2)6-8;1-3(2)4(6)5(7)8/h4-6H,3H2,1-2H3;3-4H,6H2,1-2H3,(H,7,8)/q+1;/p-1/t;4-/m.0/s1