1-piperidin-1-yl-2-(4-thieno[3,2-b][1]benzothiol-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-piperidin-1-yl-2-(4-thieno[3,2-b][1]benzothiol-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(1-piperidyl)-2-[4-(thieno[3,2-b]benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo(2-thieno[3,2-b][1]benzothiolyl)methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 1-piperidin-1-yl-2-[4-(thieno[3,2-b][1]benzothiole-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-piperidino-2-[4-(thieno[3,2-b]benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C22H26N3O2S2+ MolecularWeight: 428.59074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

InChI

InChI=1S/C22H25N3O2S2/c26-20(24-8-4-1-5-9-24)15-23-10-12-25(13-11-23)22(27)19-14-18-21(29-19)16-6-2-3-7-17(16)28-18/h2-3,6-7,14H,1,4-5,8-13,15H2/p+1