[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-[(2S)-butan-2-yl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-[(1S)-1-methylpropyl]ammonium Formula: C20H26BrFNO2+ MolecularWeight: 411.328343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OCC

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OCC

InChI

InChI=1S/C20H25BrFNO2/c1-4-14(3)23-12-15-10-17(21)20(19(11-15)24-5-2)25-13-16-8-6-7-9-18(16)22/h6-11,14,23H,4-5,12-13H2,1-3H3/p+1/t14-/m0/s1