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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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