1-pyrrolidin-1-yl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-pyrrolidin-1-yl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-pyrrolidin-1-yl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(1-pyrrolidinyl)-2-[4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-pyrrolidino-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C16H21N5OS/c22-14(20-4-1-2-5-20)11-19-6-8-21(9-7-19)15-13-3-10-23-16(13)18-12-17-15/h3,10,12H,1-2,4-9,11H2/p+1