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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-butoxypropyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-(3-butoxypropyl)ammonium Formula: C23H32BrFNO3+ MolecularWeight: 469.407483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31BrFNO3/c1-3-5-12-27-13-8-11-26-16-18-14-20(24)23(22(15-18)28-4-2)29-17-19-9-6-7-10-21(19)25/h6-7,9-10,14-15,26H,3-5,8,11-13,16-17H2,1-2H3/p+1