(2S,3S)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-(4,5-dimethyl-3-oxidanidyl-imidazol-3-ium-1-yl)-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-(4,5-dimethyl-3-oxido-1-imidazol-3-iumyl)-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)-3-methylpentanoic acid Traditional Name: (2S,3S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)-3-methyl-valeric acid Formula: C11H18N2O3 MolecularWeight: 226.27222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N1C=[N+](C(=C1C)C)[O-]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)N1C=[N+](C(=C1C)C)[O-]

InChI

InChI=1S/C11H18N2O3/c1-5-7(2)10(11(14)15)12-6-13(16)9(4)8(12)3/h6-7,10H,5H2,1-4H3,(H,14,15)/t7-,10-/m0/s1