N-(2-fluorophenyl)-3-[(3R)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(2-fluorophenyl)-3-[(3R)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-(2-fluorophenyl)-3-[(3R)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-(2-fluorophenyl)-3-[(3R)-1-[(6-methoxy-2H-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(2-fluorophenyl)-3-[(3R)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2-fluorophenyl)-3-[(3R)-1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]propionamide Formula: C25H30FN2O3+ MolecularWeight: 425.515703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=C2)C[NH+]3CCCC(C3)CCC(=O)NC4=CC=CC=C4F

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=C2)C[NH+]3CCC[C@@H](C3)CCC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C25H29FN2O3/c1-30-21-9-10-24-20(14-21)13-19(17-31-24)16-28-12-4-5-18(15-28)8-11-25(29)27-23-7-3-2-6-22(23)26/h2-3,6-7,9-10,13-14,18H,4-5,8,11-12,15-17H2,1H3,(H,27,29)/p+1/t18-/m1/s1