4,5-dihydrobenzo[g][1]benzothiol-2-yl-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C20H24N2OS/c1-2-9-21-10-12-22(13-11-21)20(23)18-14-16-8-7-15-5-3-4-6-17(15)19(16)24-18/h3-6,14H,2,7-13H2,1H3/p+1