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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-[(1R)-1-methylolpropyl]ammonium Formula: C20H26BrFNO3+ MolecularWeight: 427.327743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrFNO3/c1-3-17(12-24)23-11-15-9-18(21)20(19(10-15)25-4-2)26-13-14-5-7-16(22)8-6-14/h5-10,17,23-24H,3-4,11-13H2,1-2H3/p+1/t17-/m1/s1