2-[[3,5-bis(fluoranyl)phenyl]carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3,5-bis(fluoranyl)phenyl]carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,5-difluorophenyl)carbamothioyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,5-difluoroanilino)-sulfanylidenemethyl]-(1-pyridin-4-ylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,5-difluorophenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3,5-difluorophenyl)thiocarbamoyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C18H23F2N4S+ MolecularWeight: 365.463826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22F2N4S/c1-13(14-4-6-21-7-5-14)24(9-8-23(2)3)18(25)22-17-11-15(19)10-16(20)12-17/h4-7,10-13H,8-9H2,1-3H3,(H,22,25)/p+1