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3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium

3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium

Systemtic Name:3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium
Openeye Name:3-[(2-chloro-6-fluoro-phenyl)methyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium
CAS Name:3-[(2-chloro-6-fluorophenyl)methyl-[3-(dimethylammonio)propyl]amino]propyl-dimethylammonium
IUPAC Name:3-[(2-chloro-6-fluorophenyl)methyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium
Traditional Name:3-[(2-chloro-6-fluoro-benzyl)-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium
Formula: C17H31ClFN3+2
MolecularWeight: 331.899543
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CCC[NH+](C)C)CC1=C(C=CC=C1Cl)F


Isomeric SMILES

C[NH+](C)CCCN(CCC[NH+](C)C)CC1=C(C=CC=C1Cl)F


InChI

InChI=1S/C17H29ClFN3/c1-20(2)10-6-12-22(13-7-11-21(3)4)14-15-16(18)8-5-9-17(15)19/h5,8-9H,6-7,10-14H2,1-4H3/p+2


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