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

Systemtic Name: 2-[(3-fluorophenyl)carbamothioyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-fluorophenyl)carbamothioyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-fluoroanilino)-sulfanylidenemethyl]-[1-(3-pyridin-1-iumyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-fluorophenyl)carbamothioyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-fluorophenyl)thiocarbamoyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethyl-ammonium Formula: C18H25FN4S+2 MolecularWeight: 348.481303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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