(4-methylpiperazin-4-ium-1-yl)-thieno[3,2-b][1]benzothiol-2-yl-methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-thieno[3,2-b][1]benzothiol-2-yl-methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-thieno[3,2-b]benzothiophen-2-yl-methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-thieno[3,2-b]benzothiophen-2-yl-methanone Formula: C16H17N2OS2+ MolecularWeight: 317.44898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

InChI

InChI=1S/C16H16N2OS2/c1-17-6-8-18(9-7-17)16(19)14-10-13-15(21-14)11-4-2-3-5-12(11)20-13/h2-5,10H,6-9H2,1H3/p+1