(3S)-1-[(6-fluoranylquinolin-2-yl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(6-fluoranylquinolin-2-yl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(6-fluoro-2-quinolyl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(6-fluoro-2-quinolinyl)methyl]-N-(4-methoxyphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(6-fluoroquinolin-2-yl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(6-fluoro-2-quinolyl)methyl]piperidin-1-ium-3-yl]-(4-methoxyphenyl)amine Formula: C22H25FN3O+ MolecularWeight: 366.451803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)F

InChI

InChI=1S/C22H24FN3O/c1-27-21-9-7-18(8-10-21)24-19-3-2-12-26(14-19)15-20-6-4-16-13-17(23)5-11-22(16)25-20/h4-11,13,19,24H,2-3,12,14-15H2,1H3/p+1/t19-/m0/s1