(3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-4-ium

Systemtic Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-4-ium Openeye Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-4-ium CAS Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-4-ium IUPAC Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-4-ium Traditional Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-4-ium Formula: C12H15F3N3O2+ MolecularWeight: 290.26161

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H14F3N3O2/c1-8-7-17(5-4-16-8)10-3-2-9(12(13,14)15)6-11(10)18(19)20/h2-3,6,8,16H,4-5,7H2,1H3/p+1/t8-/m0/s1