2-azanyl-3-[2-[4-azanyl-4-oxidanylidene-3-(trimethylazaniumyl)butyl]-1H-imidazol-5-yl]propanoate

Systemtic Name: 2-azanyl-3-[2-[4-azanyl-4-oxidanylidene-3-(trimethylazaniumyl)butyl]-1H-imidazol-5-yl]propanoate Openeye Name: 2-amino-3-[2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-1H-imidazol-5-yl]propanoate CAS Name: 2-amino-3-[2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-1H-imidazol-5-yl]propanoate IUPAC Name: 2-amino-3-[2-[4-amino-4-oxo-3-(trimethylazaniumyl)butyl]-1H-imidazol-5-yl]propanoate Traditional Name: 2-amino-3-[2-[4-amino-4-keto-3-(trimethylammonio)butyl]-1H-imidazol-5-yl]propionate Formula: C13H23N5O3 MolecularWeight: 297.35342

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CCC1=NC=C(N1)CC(C(=O)[O-])N)C(=O)N

Isomeric SMILES

C[N+](C)(C)C(CCC1=NC=C(N1)CC(C(=O)[O-])N)C(=O)N

InChI

InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)