3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-N-(4-fluoranyl-2-methyl-phenyl)propanamide

Systemtic Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-N-(4-fluoranyl-2-methyl-phenyl)propanamide Openeye Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-N-(4-fluoro-2-methyl-phenyl)propanamide CAS Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]-N-(4-fluoro-2-methylphenyl)propanamide IUPAC Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide Traditional Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-N-(4-fluoro-2-methyl-phenyl)propionamide Formula: C23H28FN2O3+ MolecularWeight: 399.478423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C23H27FN2O3/c1-16-12-19(24)8-9-20(16)25-22(27)10-7-17-4-3-11-26(13-17)14-18-5-2-6-21-23(18)29-15-28-21/h2,5-6,8-9,12,17H,3-4,7,10-11,13-15H2,1H3,(H,25,27)/p+1/t17-/m1/s1