2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)carbamothioyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-(1-pyridin-4-ylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chloro-4-fluorophenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C18H23ClFN4S+ MolecularWeight: 381.918423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)N(CC[NH+](C)C)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C1=CC=NC=C1)N(CC[NH+](C)C)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H22ClFN4S/c1-13(14-6-8-21-9-7-14)24(11-10-23(2)3)18(25)22-15-4-5-17(20)16(19)12-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)/p+1