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3-[(3-bromanyl-4-fluoranyl-phenyl)methyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium

3-[(3-bromanyl-4-fluoranyl-phenyl)methyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium

Systemtic Name:3-[(3-bromanyl-4-fluoranyl-phenyl)methyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium
Openeye Name:3-[(3-bromo-4-fluoro-phenyl)methyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium
CAS Name:3-[(3-bromo-4-fluorophenyl)methyl-[3-(dimethylammonio)propyl]amino]propyl-dimethylammonium
IUPAC Name:3-[(3-bromo-4-fluorophenyl)methyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium
Traditional Name:3-[(3-bromo-4-fluoro-benzyl)-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium
Formula: C17H31BrFN3+2
MolecularWeight: 376.350543
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CCC[NH+](C)C)CC1=CC(=C(C=C1)F)Br


Isomeric SMILES

C[NH+](C)CCCN(CCC[NH+](C)C)CC1=CC(=C(C=C1)F)Br


InChI

InChI=1S/C17H29BrFN3/c1-20(2)9-5-11-22(12-6-10-21(3)4)14-15-7-8-17(19)16(18)13-15/h7-8,13H,5-6,9-12,14H2,1-4H3/p+2


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