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

Systemtic Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-3-25(4-2)21(27)16-24-11-13-26(14-12-24)23(28)20-15-18-10-9-17-7-5-6-8-19(17)22(18)29-20/h5-8,15H,3-4,9-14,16H2,1-2H3/p+1