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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OCC

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OCC

InChI

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