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

Systemtic Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C17H22N5OS+ MolecularWeight: 344.45448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC2=C1SC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H21N5OS/c23-16(22-6-2-15-14(12-22)3-11-24-15)13-20-7-9-21(10-8-20)17-18-4-1-5-19-17/h1,3-5,11H,2,6-10,12-13H2/p+1