[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-[(1R)-1-phenylethyl]ammonium Formula: C24H26BrFNO2+ MolecularWeight: 459.371143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)C2=CC=CC=C2)Br)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+][C@H](C)C2=CC=CC=C2)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C24H25BrFNO2/c1-3-28-23-14-18(15-27-17(2)19-9-5-4-6-10-19)13-21(25)24(23)29-16-20-11-7-8-12-22(20)26/h4-14,17,27H,3,15-16H2,1-2H3/p+1/t17-/m1/s1