1-(3-fluorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium CAS Name: 1-(3-fluorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Formula: C18H21FN3O4S+ MolecularWeight: 394.440443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O4S/c1-14(15-4-2-6-17(12-15)22(23)24)20-8-10-21(11-9-20)27(25,26)18-7-3-5-16(19)13-18/h2-7,12-14H,8-11H2,1H3/p+1/t14-/m1/s1