3-[4-[(5-ethylthiophen-2-yl)methyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(5-ethylthiophen-2-yl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(5-ethyl-2-thienyl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-ethyl-2-thiophenyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(5-ethylthiophen-2-yl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(5-ethyl-2-thienyl)methyl]piperazino]propionic acid Formula: C14H22N2O2S MolecularWeight: 282.40168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CN2CCN(CC2)CCC(=O)O

Isomeric SMILES

CCC1=CC=C(S1)CN2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C14H22N2O2S/c1-2-12-3-4-13(19-12)11-16-9-7-15(8-10-16)6-5-14(17)18/h3-4H,2,5-11H2,1H3,(H,17,18)