1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C19H23FN3O4S+ MolecularWeight: 408.467023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C(C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3O4S/c1-14-3-8-18(23(24)25)13-19(14)28(26,27)22-11-9-21(10-12-22)15(2)16-4-6-17(20)7-5-16/h3-8,13,15H,9-12H2,1-2H3/p+1/t15-/m1/s1