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

Systemtic Name: 3-butoxypropyl-[[5-chloranyl-2-[(2-fluorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[5-chloro-2-(2-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=CC=C2F

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClFNO2/c1-2-3-12-25-13-6-11-24-15-18-14-19(22)9-10-21(18)26-16-17-7-4-5-8-20(17)23/h4-5,7-10,14,24H,2-3,6,11-13,15-16H2,1H3/p+1