2-methylpropyl 2-azanyl-4-methyl-1,3-thiazol-3-ium-5-carboxylate

Systemtic Name: 2-methylpropyl 2-azanyl-4-methyl-1,3-thiazol-3-ium-5-carboxylate Openeye Name: isobutyl 2-amino-4-methyl-thiazol-3-ium-5-carboxylate CAS Name: 2-amino-4-methyl-5-thiazol-3-iumcarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-amino-4-methyl-1,3-thiazol-3-ium-5-carboxylate Traditional Name: 2-amino-4-methyl-thiazol-3-ium-5-carboxylic acid isobutyl ester Formula: C9H15N2O2S+ MolecularWeight: 215.2926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[NH+]1)N)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC(=[NH+]1)N)C(=O)OCC(C)C

InChI

InChI=1S/C9H14N2O2S/c1-5(2)4-13-8(12)7-6(3)11-9(10)14-7/h5H,4H2,1-3H3,(H2,10,11)/p+1