2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-quinolin-3-ylcarbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-quinolin-3-ylcarbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-(quinoline-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]methyl-[oxo(3-quinolinyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-(quinoline-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]methyl-(quinoline-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C27H35FN4O+2 MolecularWeight: 450.591403

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C[NH+](C)CCN(C[C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C27H33FN4O/c1-30(2)14-15-32(27(33)24-16-22-9-4-6-12-26(22)29-17-24)19-21-8-7-13-31(18-21)20-23-10-3-5-11-25(23)28/h3-6,9-12,16-17,21H,7-8,13-15,18-20H2,1-2H3/p+2/t21-/m0/s1