N-[[(3R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[(3R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[(3R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-4-fluorobenzamide IUPAC Name: N-[[(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[(3R)-1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-3-yl]methyl]-4-fluoro-benzamide Formula: C23H30FN2O3+ MolecularWeight: 401.494303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C23H29FN2O3/c1-3-29-22-13-17(6-11-21(22)28-2)15-26-12-4-5-18(16-26)14-25-23(27)19-7-9-20(24)10-8-19/h6-11,13,18H,3-5,12,14-16H2,1-2H3,(H,25,27)/p+1/t18-/m1/s1