(5-carbamothioyl-2-fluoranyl-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (5-carbamothioyl-2-fluoranyl-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (5-carbamothioyl-2-fluoro-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (5-carbamothioyl-2-fluorophenyl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (5-carbamothioyl-2-fluorophenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (2-fluoro-5-thiocarbamoyl-benzyl)-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C15H24FN3S+2 MolecularWeight: 297.434563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C15H22FN3S/c1-18-7-5-13(6-8-18)19(2)10-12-9-11(15(17)20)3-4-14(12)16/h3-4,9,13H,5-8,10H2,1-2H3,(H2,17,20)/p+2