(3-bromanyl-4,5-diethoxy-phenyl)methyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: (3-bromanyl-4,5-diethoxy-phenyl)methyl-[(4-fluorophenyl)methyl]azanium Openeye Name: (3-bromo-4,5-diethoxy-phenyl)methyl-[(4-fluorophenyl)methyl]ammonium CAS Name: (3-bromo-4,5-diethoxyphenyl)methyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: (3-bromo-4,5-diethoxyphenyl)methyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (3-bromo-4,5-diethoxy-benzyl)-(4-fluorobenzyl)ammonium Formula: C18H22BrFNO2+ MolecularWeight: 383.275183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)F)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)F)Br)OCC

InChI

InChI=1S/C18H21BrFNO2/c1-3-22-17-10-14(9-16(19)18(17)23-4-2)12-21-11-13-5-7-15(20)8-6-13/h5-10,21H,3-4,11-12H2,1-2H3/p+1