1-[[2,3-bis(fluoranyl)phenyl]methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[[2,3-bis(fluoranyl)phenyl]methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2,3-difluorophenyl)methyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[(2,3-difluorophenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(2,3-difluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(2,3-difluorobenzyl)-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C21H21F2N2O2S+ MolecularWeight: 403.465446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=CC=C2)F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=CC=C2)F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20F2N2O2S/c22-20-7-3-6-18(21(20)23)15-24-10-12-25(13-11-24)28(26,27)19-9-8-16-4-1-2-5-17(16)14-19/h1-9,14H,10-13,15H2/p+1