N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-oxo-chromene-3-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-oxochromene-3-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-2-keto-chromene-3-carboxamide Formula: C22H22FN2O3+ MolecularWeight: 381.420083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2F)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2F)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H21FN2O3/c23-19-9-3-1-7-16(19)13-25-11-5-8-17(14-25)24-21(26)18-12-15-6-2-4-10-20(15)28-22(18)27/h1-4,6-7,9-10,12,17H,5,8,11,13-14H2,(H,24,26)/p+1/t17-/m0/s1