4-methyl-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]-1,3-thiazole-5-carboxylate

Systemtic Name: 4-methyl-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]thiazole-5-carboxylate Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(C)[NH+]2CCCC2)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)[C@H](C)[NH+]2CCCC2)C(=O)[O-]

InChI

InChI=1S/C11H16N2O2S/c1-7-9(11(14)15)16-10(12-7)8(2)13-5-3-4-6-13/h8H,3-6H2,1-2H3,(H,14,15)/t8-/m0/s1