1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium

Systemtic Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium Openeye Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium CAS Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium Formula: C19H23FN3O4S+ MolecularWeight: 408.467023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O4S/c1-14(15-3-5-16(20)6-4-15)21-9-11-22(12-10-21)18-8-7-17(28(2,26)27)13-19(18)23(24)25/h3-8,13-14H,9-12H2,1-2H3/p+1/t14-/m1/s1