2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)CCC4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)CCC4

InChI

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