1-[(4-fluorophenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[(4-fluorophenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-ium CAS Name: 1-[(4-fluorophenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(4-fluorobenzyl)sulfonyl-piperazin-1-ium Formula: C18H22FN2O2S+ MolecularWeight: 349.442883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN2O2S/c19-18-8-6-17(7-9-18)15-24(22,23)21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2/p+1