Hercynine

Molecular Formula: C₉H₁₅N₃O₂

InChI: InChI=1/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/t8-/m0/s1/f/h11H

InChIKey: InChIKey=GPPYTCRVKHULJH-KMJKUPBBDF
SMILES: C[N+](C)(C)C(CC1=CN=CN1)C(=O)[O-]

Names:
    CHEBI:15781
    Hercynine
    Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine
    N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine
    (S)-alpha-Carboxy-N,N,N-trimethyl-1H-imidazole-4-ethanaminium hydroxide, inner salt
    (2S)-3-(1H-imidazol-4-yl)-2-(trimethylammonio)propanoate
    (2S)-3-(3H-imidazol-4-yl)-2-trimethylammonio-propanoate
    534-30-5

Registries:
    PubChem CID 5459798
    PubChem ID 8143344