1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-4-(1-naphthylmethyl)piperazin-4-ium CAS Name: 1-(2,5-difluorophenyl)sulfonyl-4-(1-naphthalenylmethyl)piperazin-4-ium IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-4-(1-naphthylmethyl)piperazin-4-ium Formula: C21H21F2N2O2S+ MolecularWeight: 403.465446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC(=C4)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=C(C=CC(=C4)F)F

InChI

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