4-(phenylmethyl)-1-(1,2,3-thiadiazol-4-ylcarbonyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(phenylmethyl)-1-(1,2,3-thiadiazol-4-ylcarbonyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[oxo(4-thiadiazolyl)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-(thiadiazole-4-carbonyl)isonipecotic acid Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CSN=N3

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CSN=N3

InChI

InChI=1S/C16H17N3O3S/c20-14(13-11-23-18-17-13)19-8-6-16(7-9-19,15(21)22)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,21,22)