[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(4-pyridylmethyl)ammonium CAS Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzyl]-(4-pyridylmethyl)ammonium Formula: C21H21BrFN2O2+ MolecularWeight: 432.306043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=NC=C2)Br)OCC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=NC=C2)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C21H20BrFN2O2/c1-26-20-11-16(13-25-12-15-6-8-24-9-7-15)10-18(22)21(20)27-14-17-4-2-3-5-19(17)23/h2-11,25H,12-14H2,1H3/p+1