1-[(5-carbamothioyl-2-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-carbamothioyl-2-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-carbamothioyl-2-fluoro-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-carbamothioyl-2-fluorophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-carbamothioyl-2-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-fluoro-5-thiocarbamoyl-benzyl)piperidin-1-ium-4-carboxamide Formula: C14H19FN3OS+ MolecularWeight: 296.383563

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C14H18FN3OS/c15-12-2-1-10(14(17)20)7-11(12)8-18-5-3-9(4-6-18)13(16)19/h1-2,7,9H,3-6,8H2,(H2,16,19)(H2,17,20)/p+1