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

Systemtic Name: 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl)pentanoate Openeye Name: 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl)pentanoate CAS Name: 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl)pentanoate IUPAC Name: 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl)pentanoate Traditional Name: 5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl)valerate Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1SC=C2)CCCCC(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=C1SC=C2)CCCCC(=O)[O-]

InChI

InChI=1S/C12H17NO2S/c14-12(15)3-1-2-6-13-7-4-11-10(9-13)5-8-16-11/h5,8H,1-4,6-7,9H2,(H,14,15)