[3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)azanium

Systemtic Name: [3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)azanium Openeye Name: [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)ammonium CAS Name: [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)ammonium IUPAC Name: [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)azanium Traditional Name: [3-chloro-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-(2-diethylaminoethyl)ammonium Formula: C22H31ClFN2O2+ MolecularWeight: 409.945143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=C(C=C2)F)OCC

Isomeric SMILES

CCN(CC)CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=C(C=C2)F)OCC

InChI

InChI=1S/C22H30ClFN2O2/c1-4-26(5-2)12-11-25-15-18-13-20(23)22(21(14-18)27-6-3)28-16-17-7-9-19(24)10-8-17/h7-10,13-14,25H,4-6,11-12,15-16H2,1-3H3/p+1