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3-(2,5-dimethyl-1,3-thiazol-3-ium-3-yl)propanoic acid

3-(2,5-dimethyl-1,3-thiazol-3-ium-3-yl)propanoic acid

Systemtic Name:3-(2,5-dimethyl-1,3-thiazol-3-ium-3-yl)propanoic acid
Openeye Name:3-(2,5-dimethylthiazol-3-ium-3-yl)propanoic acid
CAS Name:3-(2,5-dimethyl-3-thiazol-3-iumyl)propanoic acid
IUPAC Name:3-(2,5-dimethyl-1,3-thiazol-3-ium-3-yl)propanoic acid
Traditional Name:3-(2,5-dimethylthiazol-3-ium-3-yl)propionic acid
Formula: C8H12NO2S+
MolecularWeight: 186.25138
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(S1)C)CCC(=O)O


Isomeric SMILES

CC1=C[N+](=C(S1)C)CCC(=O)O


InChI

InChI=1S/C8H11NO2S/c1-6-5-9(7(2)12-6)4-3-8(10)11/h5H,3-4H2,1-2H3/p+1


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