8-fluoranyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]quinoline-2-carboxamide

Systemtic Name: 8-fluoranyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]quinoline-2-carboxamide Openeye Name: 8-fluoro-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]quinoline-2-carboxamide CAS Name: 8-fluoro-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-2-quinolinecarboxamide IUPAC Name: 8-fluoro-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]quinoline-2-carboxamide Traditional Name: 8-fluoro-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]quinaldamide Formula: C21H29FN4O+2 MolecularWeight: 372.479563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=NC4=C(C=CC=C4F)C=C3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=NC4=C(C=CC=C4F)C=C3

InChI

InChI=1S/C21H27FN4O/c1-25-12-9-17(10-13-25)26-11-3-5-16(14-26)23-21(27)19-8-7-15-4-2-6-18(22)20(15)24-19/h2,4,6-8,16-17H,3,5,9-14H2,1H3,(H,23,27)/p+2/t16-/m0/s1