[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: [3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-morpholinopropyl)ammonium CAS Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: [3-bromo-4-(2-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=CC=C3F

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCCN2CCOCC2)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C22H28BrFN2O3/c1-27-21-14-17(15-25-7-4-8-26-9-11-28-12-10-26)13-19(23)22(21)29-16-18-5-2-3-6-20(18)24/h2-3,5-6,13-14,25H,4,7-12,15-16H2,1H3/p+1