[3,5-bis(bromanyl)-2-ethoxy-phenyl]methyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: [3,5-bis(bromanyl)-2-ethoxy-phenyl]methyl-[(4-fluorophenyl)methyl]azanium Openeye Name: (3,5-dibromo-2-ethoxy-phenyl)methyl-[(4-fluorophenyl)methyl]ammonium CAS Name: (3,5-dibromo-2-ethoxyphenyl)methyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: (3,5-dibromo-2-ethoxyphenyl)methyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (3,5-dibromo-2-ethoxy-benzyl)-(4-fluorobenzyl)ammonium Formula: C16H17Br2FNO+ MolecularWeight: 418.118683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C[NH2+]CC2=CC=C(C=C2)F)Br)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1C[NH2+]CC2=CC=C(C=C2)F)Br)Br

InChI

InChI=1S/C16H16Br2FNO/c1-2-21-16-12(7-13(17)8-15(16)18)10-20-9-11-3-5-14(19)6-4-11/h3-8,20H,2,9-10H2,1H3/p+1