4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[4-(hydroxymethyl)-2-thioxo-1H-imidazol-3-yl]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[(5-methylol-2-thioxo-4-imidazolin-1-yl)methyl]piperidine-1-carboxylic acid Formula: C11H17N3O3S MolecularWeight: 271.33598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=CNC2=S)CO)C(=O)O

Isomeric SMILES

C1CN(CCC1CN2C(=CNC2=S)CO)C(=O)O

InChI

InChI=1S/C11H17N3O3S/c15-7-9-5-12-10(18)14(9)6-8-1-3-13(4-2-8)11(16)17/h5,8,15H,1-4,6-7H2,(H,12,18)(H,16,17)