2-[4-(2,3-dihydro-1H-inden-5-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(indane-5-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2,3-dihydro-1H-inden-5-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(indane-5-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FN3O2/c23-19-5-2-6-20(14-19)24-21(27)15-25-9-11-26(12-10-25)22(28)18-8-7-16-3-1-4-17(16)13-18/h2,5-8,13-14H,1,3-4,9-12,15H2,(H,24,27)/p+1