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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-(3-isopropoxypropyl)ammonium Formula: C22H30BrFNO3+ MolecularWeight: 455.380903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCCOC(C)C)Br)OCC2=CC=CC=C2F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCCOC(C)C)Br)OCC2=CC=CC=C2F

InChI

InChI=1S/C22H29BrFNO3/c1-4-26-21-13-17(14-25-10-7-11-27-16(2)3)12-19(23)22(21)28-15-18-8-5-6-9-20(18)24/h5-6,8-9,12-13,16,25H,4,7,10-11,14-15H2,1-3H3/p+1