1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-(2-fluoranylphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-(2-fluoranylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-[2-(2-fluorophenoxy)ethyl]-4-indan-5-ylsulfonyl-piperazin-1-ium CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium Traditional Name: 1-[2-(2-fluorophenoxy)ethyl]-4-indan-5-ylsulfonyl-piperazin-1-ium Formula: C21H26FN2O3S+ MolecularWeight: 405.506143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4F

InChI

InChI=1S/C21H25FN2O3S/c22-20-6-1-2-7-21(20)27-15-14-23-10-12-24(13-11-23)28(25,26)19-9-8-17-4-3-5-18(17)16-19/h1-2,6-9,16H,3-5,10-15H2/p+1