2-[(3-fluorophenyl)carbamothioyl-(1-pyridin-2-ylethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-fluorophenyl)carbamothioyl-(1-pyridin-2-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-fluorophenyl)carbamothioyl-[1-(2-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-fluoroanilino)-sulfanylidenemethyl]-[1-(2-pyridinyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-fluorophenyl)carbamothioyl-(1-pyridin-2-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-fluorophenyl)thiocarbamoyl-[1-(2-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C18H24FN4S+ MolecularWeight: 347.473363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)N(CC[NH+](C)C)C(=S)NC2=CC(=CC=C2)F

Isomeric SMILES

CC(C1=CC=CC=N1)N(CC[NH+](C)C)C(=S)NC2=CC(=CC=C2)F

InChI

InChI=1S/C18H23FN4S/c1-14(17-9-4-5-10-20-17)23(12-11-22(2)3)18(24)21-16-8-6-7-15(19)13-16/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)/p+1