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

Systemtic Name: 1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-methyl-3-[(1-methyl-2-pyridin-1-iumyl)thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-methyl-3-[(1-methylpyridin-1-ium-2-yl)thio]propanoyl]proline Formula: C15H21N2O3S+ MolecularWeight: 309.40384

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=[N+]1C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(CSC1=CC=CC=[N+]1C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C15H20N2O3S/c1-11(10-21-13-7-3-4-8-16(13)2)14(18)17-9-5-6-12(17)15(19)20/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3/p+1