N-[1-cyano-4-(6-fluoranyl-1,2-benzoxazol-3-yl)-2-methyl-piperidin-1-ium-1-yl]methanethioamide

Systemtic Name: N-[1-cyano-4-(6-fluoranyl-1,2-benzoxazol-3-yl)-2-methyl-piperidin-1-ium-1-yl]methanethioamide Openeye Name: N-[1-cyano-4-(6-fluoro-1,2-benzoxazol-3-yl)-2-methyl-piperidin-1-ium-1-yl]thioformamide CAS Name: N-[1-cyano-4-(6-fluoro-1,2-benzoxazol-3-yl)-2-methyl-1-piperidin-1-iumyl]methanethioamide IUPAC Name: N-[1-cyano-4-(6-fluoro-1,2-benzoxazol-3-yl)-2-methylpiperidin-1-ium-1-yl]methanethioamide Traditional Name: N-[1-cyano-4-(6-fluoroindoxazen-3-yl)-2-methyl-piperidin-1-ium-1-yl]thioformamide Formula: C15H16FN4OS+ MolecularWeight: 319.377143

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC[N+]1(C#N)NC=S)C2=NOC3=C2C=CC(=C3)F

Isomeric SMILES

CC1CC(CC[N+]1(C#N)NC=S)C2=NOC3=C2C=CC(=C3)F

InChI

InChI=1S/C15H15FN4OS/c1-10-6-11(4-5-20(10,8-17)18-9-22)15-13-3-2-12(16)7-14(13)21-19-15/h2-3,7,9-11H,4-6H2,1H3/p+1