4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)benzoate

Systemtic Name: 4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)benzoate Openeye Name: 4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)benzoate CAS Name: 4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)benzoate IUPAC Name: 4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)benzoate Traditional Name: 4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)benzoate Formula: C15H15NO2S MolecularWeight: 273.3501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1SC=C2)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=C1SC=C2)CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H15NO2S/c17-15(18)12-3-1-11(2-4-12)9-16-7-5-14-13(10-16)6-8-19-14/h1-4,6,8H,5,7,9-10H2,(H,17,18)