N-[(2-fluoranyl-5-methoxy-phenyl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine

Systemtic Name: N-[(2-fluoranyl-5-methoxy-phenyl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine Openeye Name: N-[(2-fluoro-5-methoxy-phenyl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine CAS Name: N-[(2-fluoro-5-methoxyphenyl)methyl]-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-2-phenylethanamine IUPAC Name: N-[(2-fluoro-5-methoxyphenyl)methyl]-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenylethanamine Traditional Name: (2-fluoro-5-methoxy-benzyl)-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-amine Formula: C23H32FN2O+ MolecularWeight: 371.511383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN(CCC2=CC=CC=C2)CC3=C(C=CC(=C3)OC)F

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)CN(CCC2=CC=CC=C2)CC3=C(C=CC(=C3)OC)F

InChI

InChI=1S/C23H31FN2O/c1-25-13-6-9-20(16-25)17-26(14-12-19-7-4-3-5-8-19)18-21-15-22(27-2)10-11-23(21)24/h3-5,7-8,10-11,15,20H,6,9,12-14,16-18H2,1-2H3/p+1/t20-/m0/s1