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

Systemtic Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-15(2)23-20(26)14-24-9-11-25(12-10-24)22(27)19-13-17-8-7-16-5-3-4-6-18(16)21(17)28-19/h3-6,13,15H,7-12,14H2,1-2H3,(H,23,26)/p+1