[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-(4-pyridylmethyl)ammonium CAS Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [4-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]-(4-pyridylmethyl)ammonium Formula: C21H21ClFN2O2+ MolecularWeight: 387.855043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=NC=C2)OCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=NC=C2)OCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H20ClFN2O2/c1-26-21-10-16(13-25-12-15-6-8-24-9-7-15)2-5-20(21)27-14-17-3-4-18(23)11-19(17)22/h2-11,25H,12-14H2,1H3/p+1