4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

C1CN(CC2=C1SC=C2)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C13H17N3O2S/c17-12-8-15(5-3-14-12)9-13(18)16-4-1-11-10(7-16)2-6-19-11/h2,6H,1,3-5,7-9H2,(H,14,17)/p+1