2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

Systemtic Name: 2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone Openeye Name: 2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)-1-[(4S)-4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone CAS Name: 2-[4-(2-pyrazinyl)-1-piperazin-1-iumyl]-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone IUPAC Name: 2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone Traditional Name: 2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)-1-[(4S)-4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone Formula: C21H24N5OS2+ MolecularWeight: 426.57816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1SC=C2)C3=CC=CS3)C(=O)C[NH+]4CCN(CC4)C5=NC=CN=C5

Isomeric SMILES

C1CN([C@@H](C2=C1SC=C2)C3=CC=CS3)C(=O)C[NH+]4CCN(CC4)C5=NC=CN=C5

InChI

InChI=1S/C21H23N5OS2/c27-20(15-24-8-10-25(11-9-24)19-14-22-5-6-23-19)26-7-3-17-16(4-13-29-17)21(26)18-2-1-12-28-18/h1-2,4-6,12-14,21H,3,7-11,15H2/p+1/t21-/m0/s1