[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: [3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-morpholinopropyl)ammonium CAS Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: [3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]-(3-morpholinopropyl)ammonium Formula: C22H29BrFN2O3+ MolecularWeight: 468.379663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCCN2CCOCC2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCCN2CCOCC2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28BrFN2O3/c1-27-21-14-18(15-25-7-2-8-26-9-11-28-12-10-26)13-20(23)22(21)29-16-17-3-5-19(24)6-4-17/h3-6,13-14,25H,2,7-12,15-16H2,1H3/p+1