2-[(2S)-4-[(7-fluoranyl-2-methyl-quinolin-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(7-fluoranyl-2-methyl-quinolin-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(7-fluoro-2-methyl-4-quinolyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(7-fluoro-2-methyl-4-quinolinyl)methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(7-fluoro-2-methylquinolin-4-yl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(7-fluoro-2-methyl-4-quinolyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C18H25FN3O+ MolecularWeight: 318.409003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)CN3CC[NH+](C(C3)CCO)C

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)CN3CC[NH+]([C@H](C3)CCO)C

InChI

InChI=1S/C18H24FN3O/c1-13-9-14(17-4-3-15(19)10-18(17)20-13)11-22-7-6-21(2)16(12-22)5-8-23/h3-4,9-10,16,23H,5-8,11-12H2,1-2H3/p+1/t16-/m0/s1