(4S)-7-fluoranyl-2-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-quinoline-4-carboxamide

Systemtic Name: (4S)-7-fluoranyl-2-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-quinoline-4-carboxamide Openeye Name: (4S)-N-(1-benzylpiperidin-1-ium-4-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide CAS Name: (4S)-7-fluoro-2-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3,4-dihydro-1H-quinoline-4-carboxamide IUPAC Name: (4S)-N-(1-benzylpiperidin-1-ium-4-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide Traditional Name: (4S)-N-(1-benzylpiperidin-1-ium-4-yl)-7-fluoro-2-keto-3,4-dihydro-1H-quinoline-4-carboxamide Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CC(=O)NC3=C2C=CC(=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)[C@H]2CC(=O)NC3=C2C=CC(=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C22H24FN3O2/c23-16-6-7-18-19(13-21(27)25-20(18)12-16)22(28)24-17-8-10-26(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,19H,8-11,13-14H2,(H,24,28)(H,25,27)/p+1/t19-/m0/s1