3-[[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[5-bromo-2-(2-fluorobenzyl)oxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C21H30BrFN2O+2 MolecularWeight: 425.378103

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2F

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2F

InChI

InChI=1S/C21H28BrFN2O/c1-3-25(4-2)13-7-12-24-15-18-14-19(22)10-11-21(18)26-16-17-8-5-6-9-20(17)23/h5-6,8-11,14,24H,3-4,7,12-13,15-16H2,1-2H3/p+2