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

Systemtic Name: [3-chloranyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(2-pyridylmethyl)ammonium CAS Name: [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [3-chloro-4-(2-fluorobenzyl)oxy-5-methoxy-benzyl]-(2-pyridylmethyl)ammonium Formula: C21H21ClFN2O2+ MolecularWeight: 387.855043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=N2)Cl)OCC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=N2)Cl)OCC3=CC=CC=C3F

InChI

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