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

Systemtic Name: 2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)SC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S/c25-20(22-14-16-5-2-1-3-6-16)15-23-9-11-24(12-10-23)21(26)19-13-17-7-4-8-18(17)27-19/h1-3,5-6,13H,4,7-12,14-15H2,(H,22,25)/p+1