1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid hydrate hydrochloride

Systemtic Name: 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid hydrate hydrochloride Openeye Name: 1-(2-thienylmethyl)piperidine-4-carboxylic acid hydrate hydrochloride CAS Name: 1-(thiophen-2-ylmethyl)-4-piperidinecarboxylic acid hydrate hydrochloride IUPAC Name: 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid hydrate hydrochloride Traditional Name: 1-(2-thenyl)isonipecotic acid hydrate hydrochloride Formula: C11H18ClNO3S MolecularWeight: 279.78352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC=CS2.O.Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC=CS2.O.Cl

InChI

InChI=1S/C11H15NO2S.ClH.H2O/c13-11(14)9-3-5-12(6-4-9)8-10-2-1-7-15-10;;/h1-2,7,9H,3-6,8H2,(H,13,14);1H;1H2