2-(3-methylimidazol-3-ium-1-yl)ethyl (2S)-2-azanyl-4-methyl-pentanoate tetrafluoroborate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl (2S)-2-azanyl-4-methyl-pentanoate tetrafluoroborate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl (2S)-2-amino-4-methyl-pentanoate tetrafluoroborate CAS Name: (2S)-2-amino-4-methylpentanoic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester tetrafluoroborate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl (2S)-2-amino-4-methylpentanoate tetrafluoroborate Traditional Name: (2S)-2-amino-4-methyl-valeric acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester tetrafluoroborate Formula: C12H22BF4N3O2 MolecularWeight: 327.126593

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)CC(C(=O)OCCN1C=C[N+](=C1)C)N

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)C[C@@H](C(=O)OCCN1C=C[N+](=C1)C)N

InChI

InChI=1S/C12H22N3O2.BF4/c1-10(2)8-11(13)12(16)17-7-6-15-5-4-14(3)9-15;2-1(3,4)5/h4-5,9-11H,6-8,13H2,1-3H3;/q+1;-1/t11-;/m0./s1