[4-bromanyl-3-(trifluoromethyl)phenyl]-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: [4-bromanyl-3-(trifluoromethyl)phenyl]-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: [4-bromo-3-(trifluoromethyl)phenyl]-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: [4-bromo-3-(trifluoromethyl)phenyl]-[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]ammonium IUPAC Name: [4-bromo-3-(trifluoromethyl)phenyl]-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: [4-bromo-3-(trifluoromethyl)phenyl]-[2-(4-carbethoxypiperazino)-2-keto-ethyl]ammonium Formula: C16H20BrF3N3O3+ MolecularWeight: 439.24751

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C[NH2+]C2=CC(=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[NH2+]C2=CC(=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C16H19BrF3N3O3/c1-2-26-15(25)23-7-5-22(6-8-23)14(24)10-21-11-3-4-13(17)12(9-11)16(18,19)20/h3-4,9,21H,2,5-8,10H2,1H3/p+1