1-[(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)methyl]nipecotic acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C13H19NO2S/c1-2-11-5-6-12(17-11)9-14-7-3-4-10(8-14)13(15)16/h5-6,10H,2-4,7-9H2,1H3,(H,15,16)