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

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl (2S)-2-azanyl-4-methyl-pentanoate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl (2S)-2-amino-4-methyl-pentanoate CAS Name: (2S)-2-amino-4-methylpentanoic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl (2S)-2-amino-4-methylpentanoate Traditional Name: (2S)-2-amino-4-methyl-valeric acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester Formula: C12H22N3O2+ MolecularWeight: 240.32198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCCN1C=C[N+](=C1)C)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCCN1C=C[N+](=C1)C)N

InChI

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