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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClFNO3/c1-3-25-11-5-10-24-14-17-12-19(22)21(20(13-17)26-4-2)27-15-16-6-8-18(23)9-7-16/h6-9,12-13,24H,3-5,10-11,14-15H2,1-2H3/p+1