(2S)-3-methyl-2-[3-(pyridin-2-ylmethyl)imidazol-3-ium-1-yl]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[3-(pyridin-2-ylmethyl)imidazol-3-ium-1-yl]butanoic acid Openeye Name: (2S)-3-methyl-2-[3-(2-pyridylmethyl)imidazol-3-ium-1-yl]butanoic acid CAS Name: (2S)-3-methyl-2-[3-(2-pyridinylmethyl)-1-imidazol-3-iumyl]butanoic acid IUPAC Name: (2S)-3-methyl-2-[3-(pyridin-2-ylmethyl)imidazol-3-ium-1-yl]butanoic acid Traditional Name: (2S)-3-methyl-2-[3-(2-pyridylmethyl)imidazol-3-ium-1-yl]butyric acid Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C=C[N+](=C1)CC2=CC=CC=N2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N1C=C[N+](=C1)CC2=CC=CC=N2

InChI

InChI=1S/C14H17N3O2/c1-11(2)13(14(18)19)17-8-7-16(10-17)9-12-5-3-4-6-15-12/h3-8,10-11,13H,9H2,1-2H3/p+1/t13-/m0/s1