N-[1-cyano-4-(4-fluorophenyl)carbonyl-2-methyl-piperidin-1-ium-1-yl]methanethioamide

Systemtic Name: N-[1-cyano-4-(4-fluorophenyl)carbonyl-2-methyl-piperidin-1-ium-1-yl]methanethioamide Openeye Name: N-[1-cyano-4-(4-fluorobenzoyl)-2-methyl-piperidin-1-ium-1-yl]thioformamide CAS Name: N-[1-cyano-4-[(4-fluorophenyl)-oxomethyl]-2-methyl-1-piperidin-1-iumyl]methanethioamide IUPAC Name: N-[1-cyano-4-(4-fluorobenzoyl)-2-methylpiperidin-1-ium-1-yl]methanethioamide Traditional Name: N-[1-cyano-4-(4-fluorobenzoyl)-2-methyl-piperidin-1-ium-1-yl]thioformamide Formula: C15H17FN3OS+ MolecularWeight: 306.378383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC[N+]1(C#N)NC=S)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1CC(CC[N+]1(C#N)NC=S)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H16FN3OS/c1-11-8-13(6-7-19(11,9-17)18-10-21)15(20)12-2-4-14(16)5-3-12/h2-5,10-11,13H,6-8H2,1H3/p+1