1-[(3-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-fluorophenyl)methyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[(3-fluorophenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(3-fluorobenzyl)-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C21H22FN2O2S+ MolecularWeight: 385.474983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O2S/c22-20-7-3-4-17(14-20)16-23-10-12-24(13-11-23)27(25,26)21-9-8-18-5-1-2-6-19(18)15-21/h1-9,14-15H,10-13,16H2/p+1