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3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium

3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium

Systemtic Name:3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium
Openeye Name:3-[(3-chloro-4-fluoro-phenyl)carbamothioyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium
CAS Name:3-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-[3-(dimethylammonio)propyl]amino]propyl-dimethylammonium
IUPAC Name:3-[(3-chloro-4-fluorophenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium
Traditional Name:3-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium
Formula: C17H30ClFN4S+2
MolecularWeight: 376.963303
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NC1=CC(=C(C=C1)F)Cl


Isomeric SMILES

C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NC1=CC(=C(C=C1)F)Cl


InChI

InChI=1S/C17H28ClFN4S/c1-21(2)9-5-11-23(12-6-10-22(3)4)17(24)20-14-7-8-16(19)15(18)13-14/h7-8,13H,5-6,9-12H2,1-4H3,(H,20,24)/p+2


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