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

Systemtic Name: 3-butoxypropyl-[[5-chloranyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[5-chloro-2-(4-fluorobenzyl)oxy-benzyl]ammonium Formula: C21H28ClFNO2+ MolecularWeight: 380.903923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClFNO2/c1-2-3-12-25-13-4-11-24-15-18-14-19(22)7-10-21(18)26-16-17-5-8-20(23)9-6-17/h5-10,14,24H,2-4,11-13,15-16H2,1H3/p+1