2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-quinoxalin-5-ylcarbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-quinoxalin-5-ylcarbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-(quinoxaline-5-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]methyl-[oxo(5-quinoxalinyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-(quinoxaline-5-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]methyl-(quinoxaline-5-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C26H34FN5O+2 MolecularWeight: 451.579463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

C[NH+](C)CCN(C[C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C26H32FN5O/c1-30(2)15-16-32(26(33)22-9-5-11-24-25(22)29-13-12-28-24)18-20-7-6-14-31(17-20)19-21-8-3-4-10-23(21)27/h3-5,8-13,20H,6-7,14-19H2,1-2H3/p+2/t20-/m0/s1