3-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)sulfanyl-propanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)sulfanyl-propanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)sulfanyl-propanoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[2-methyl-3-[(1-methyl-2-pyridin-1-iumyl)thio]-1-oxopropyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)thio]propanoyl]thiazolidine-4-carboxylic acid Formula: C14H19N2O3S2+ MolecularWeight: 327.44226

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=[N+]1C)C(=O)N2CSCC2C(=O)O

Isomeric SMILES

CC(CSC1=CC=CC=[N+]1C)C(=O)N2CSCC2C(=O)O

InChI

InChI=1S/C14H18N2O3S2/c1-10(7-21-12-5-3-4-6-15(12)2)13(17)16-9-20-8-11(16)14(18)19/h3-6,10-11H,7-9H2,1-2H3/p+1