(3S)-1-[(8-fluoranylquinolin-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(8-fluoranylquinolin-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(8-fluoro-2-quinolyl)methyl]-N-methyl-N-[2-(2-pyridyl)ethyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(8-fluoro-2-quinolinyl)methyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(8-fluoroquinolin-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(8-fluoro-2-quinolyl)methyl]piperidin-1-ium-3-yl]-methyl-[2-(2-pyridyl)ethyl]amine Formula: C23H28FN4+ MolecularWeight: 379.493623

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2CCC[NH+](C2)CC3=NC4=C(C=CC=C4F)C=C3

Isomeric SMILES

CN(CCC1=CC=CC=N1)[C@H]2CCC[NH+](C2)CC3=NC4=C(C=CC=C4F)C=C3

InChI

InChI=1S/C23H27FN4/c1-27(15-12-19-7-2-3-13-25-19)21-8-5-14-28(17-21)16-20-11-10-18-6-4-9-22(24)23(18)26-20/h2-4,6-7,9-11,13,21H,5,8,12,14-17H2,1H3/p+1/t21-/m0/s1