(2S)-2-azanyl-4-methyl-pentanoate; 1-ethyl-3-methyl-imidazol-3-ium

Systemtic Name: (2S)-2-azanyl-4-methyl-pentanoate; 1-ethyl-3-methyl-imidazol-3-ium Openeye Name: (2S)-2-amino-4-methyl-pentanoate; 1-ethyl-3-methyl-imidazol-3-ium CAS Name: (2S)-2-amino-4-methylpentanoate; 1-ethyl-3-methylimidazol-3-ium IUPAC Name: (2S)-2-amino-4-methylpentanoate; 1-ethyl-3-methylimidazol-3-ium Traditional Name: (2S)-2-amino-4-methyl-valerate; 1-ethyl-3-methyl-imidazol-3-ium Formula: C12H23N3O2 MolecularWeight: 241.32992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H11N2.C6H13NO2/c1-3-8-5-4-7(2)6-8;1-4(2)3-5(7)6(8)9/h4-6H,3H2,1-2H3;4-5H,3,7H2,1-2H3,(H,8,9)/q+1;/p-1/t;5-/m.0/s1