1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium Formula: C18H21ClFN2O2S+ MolecularWeight: 383.887943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H20ClFN2O2S/c1-14(15-5-3-2-4-6-15)21-9-11-22(12-10-21)25(23,24)16-7-8-18(20)17(19)13-16/h2-8,13-14H,9-12H2,1H3/p+1/t14-/m1/s1