N-[3-(4-fluorophenyl)-4-oxidanylidene-thiochromen-2-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(4-fluorophenyl)-4-oxidanylidene-thiochromen-2-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[3-(4-fluorophenyl)-4-oxo-thiochromen-2-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[3-(4-fluorophenyl)-4-oxo-1-benzothiopyran-2-yl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[3-(4-fluorophenyl)-4-oxothiochromen-2-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[3-(4-fluorophenyl)-4-keto-thiochromen-2-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C23H24FN2O2S+ MolecularWeight: 411.512263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN2O2S/c1-15-5-4-12-26(13-15)14-20(27)25-23-21(16-8-10-17(24)11-9-16)22(28)18-6-2-3-7-19(18)29-23/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,25,27)/p+1/t15-/m0/s1