2-adamantyl-[(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 2-adamantyl-[(2R)-1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2-adamantyl-[(1R)-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl]ammonium CAS Name: 2-adamantyl-[(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: 2-adamantyl-[(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]azanium Traditional Name: 2-adamantyl-[(1R)-2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]ammonium Formula: C20H25F3N3O3+ MolecularWeight: 412.42601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)[NH2+]C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)[NH2+]C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C20H24F3N3O3/c1-10(24-18-13-5-11-4-12(7-13)8-14(18)6-11)19(27)25-17-3-2-15(26(28)29)9-16(17)20(21,22)23/h2-3,9-14,18,24H,4-8H2,1H3,(H,25,27)/p+1/t10-,11?,12?,13?,14?,18?/m1/s1