2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-22(2)19(25)14-23-9-11-24(12-10-23)21(26)18-13-16-8-7-15-5-3-4-6-17(15)20(16)27-18/h3-6,13H,7-12,14H2,1-2H3/p+1