3-[(3R)-1-[(6-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(6-fluoranylquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(6-fluoro-2-quinolyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(6-fluoro-2-quinolinyl)methyl]-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[(6-fluoro-2-quinolyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C23H33FN4O+2 MolecularWeight: 400.532723

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)F

InChI

InChI=1S/C23H31FN4O/c1-26-11-13-28(14-12-26)23(29)9-4-18-3-2-10-27(16-18)17-21-7-5-19-15-20(24)6-8-22(19)25-21/h5-8,15,18H,2-4,9-14,16-17H2,1H3/p+2/t18-/m1/s1