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

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-thieno[3,2-b][1]benzothiol-2-yl-methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-thieno[3,2-b]benzothiophen-2-yl-methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(2-thieno[3,2-b][1]benzothiolyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-thieno[3,2-b]benzothiophen-2-yl-methanone Formula: C22H21N2OS2+ MolecularWeight: 393.54494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

InChI

InChI=1S/C22H20N2OS2/c25-22(20-14-19-21(27-20)17-8-4-5-9-18(17)26-19)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2/p+1