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

Systemtic Name: [3-chloranyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium Openeye Name: [3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)ammonium CAS Name: [3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium Traditional Name: [3-chloro-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-(3-ethoxypropyl)ammonium Formula: C21H28ClFNO3+ MolecularWeight: 396.903323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2F)OCC

Isomeric SMILES

CCOCCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2F)OCC

InChI

InChI=1S/C21H27ClFNO3/c1-3-25-11-7-10-24-14-16-12-18(22)21(20(13-16)26-4-2)27-15-17-8-5-6-9-19(17)23/h5-6,8-9,12-13,24H,3-4,7,10-11,14-15H2,1-2H3/p+1