(3S)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]-N-(4-fluorophenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]-N-(4-fluorophenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(4-fluoro-3-methoxy-phenyl)methyl]-N-(4-fluorophenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(4-fluorophenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-3-yl]-(4-fluorophenyl)amine Formula: C19H23F2N2O+ MolecularWeight: 333.395526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCC(C2)NC3=CC=C(C=C3)F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)F)F

InChI

InChI=1S/C19H22F2N2O/c1-24-19-11-14(4-9-18(19)21)12-23-10-2-3-17(13-23)22-16-7-5-15(20)6-8-16/h4-9,11,17,22H,2-3,10,12-13H2,1H3/p+1/t17-/m0/s1