[2-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [2-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [2-[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropoxy]-4-hydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]oxy-4-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C13H23N4O4+ MolecularWeight: 299.34612

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OC(=O)C(CC1=CN=CN1)N

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)OC(=O)[C@H](CC1=CN=CN1)N

InChI

InChI=1S/C13H22N4O4/c1-17(2,3)7-10(5-12(18)19)21-13(20)11(14)4-9-6-15-8-16-9/h6,8,10-11H,4-5,7,14H2,1-3H3,(H-,15,16,18,19)/p+1/t10?,11-/m0/s1