2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl-[(2R)-2-oxidanylpropyl]azanium

Systemtic Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl-[(2R)-2-oxidanylpropyl]azanium Openeye Name: [(2R)-2-hydroxypropyl]-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]ammonium CAS Name: [(2R)-2-hydroxypropyl]-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]ammonium IUPAC Name: [(2R)-2-hydroxypropyl]-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]azanium Traditional Name: [(2R)-2-hydroxypropyl]-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]ammonium Formula: C12H17F3N3O3+ MolecularWeight: 308.27689

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

C[C@H](C[NH2+]CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C12H16F3N3O3/c1-8(19)7-16-4-5-17-10-3-2-9(12(13,14)15)6-11(10)18(20)21/h2-3,6,8,16-17,19H,4-5,7H2,1H3/p+1/t8-/m1/s1