1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C19H21BrF3N2O+ MolecularWeight: 430.28205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)Br

InChI

InChI=1S/C19H20BrF3N2O/c1-26-18-6-5-14(11-17(18)20)13-24-7-9-25(10-8-24)16-4-2-3-15(12-16)19(21,22)23/h2-6,11-12H,7-10,13H2,1H3/p+1