[3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-chloro-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C22H23ClFN2O2+ MolecularWeight: 401.881623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Cl)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Cl)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22ClFN2O2/c1-2-27-21-11-18(14-26-13-17-4-3-9-25-12-17)10-20(23)22(21)28-15-16-5-7-19(24)8-6-16/h3-12,26H,2,13-15H2,1H3/p+1