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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-(2-diethylaminoethyl)ammonium Formula: C22H31BrFN2O2+ MolecularWeight: 454.396143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrFN2O2/c1-4-26(5-2)12-11-25-15-17-13-19(23)22(21(14-17)27-6-3)28-16-18-9-7-8-10-20(18)24/h7-10,13-14,25H,4-6,11-12,15-16H2,1-3H3/p+1