7-fluoranyl-2-methyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide

Systemtic Name: 7-fluoranyl-2-methyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide Openeye Name: 7-fluoro-2-methyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]quinoline-3-carboxamide CAS Name: 7-fluoro-2-methyl-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-3-quinolinecarboxamide IUPAC Name: 7-fluoro-2-methyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide Traditional Name: 7-fluoro-2-methyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]quinoline-3-carboxamide Formula: C21H24FN4OS+ MolecularWeight: 399.504863

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=C(N=C4C=C(C=CC4=C3)F)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=C(N=C4C=C(C=CC4=C3)F)C

InChI

InChI=1S/C21H23FN4OS/c1-13-4-3-7-26(10-13)11-17-12-28-21(24-17)25-20(27)18-8-15-5-6-16(22)9-19(15)23-14(18)2/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,24,25,27)/p+1/t13-/m0/s1