1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperazin-1-ium CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(2-chloro-6-fluoro-benzyl)sulfonyl-piperazin-1-ium Formula: C18H21ClFN2O2S+ MolecularWeight: 383.887943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H20ClFN2O2S/c19-17-7-4-8-18(20)16(17)14-25(23,24)22-11-9-21(10-12-22)13-15-5-2-1-3-6-15/h1-8H,9-14H2/p+1