2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(quinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(quinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-(5-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(5-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(quinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-4-(5-quinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C24H29FN3O2+ MolecularWeight: 410.504363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2CCO)CC3=C4C=CC=NC4=CC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=C4C=CC=NC4=CC=C3)F

InChI

InChI=1S/C24H28FN3O2/c1-30-21-8-7-19(23(25)14-21)16-28-12-11-27(17-20(28)9-13-29)15-18-4-2-6-24-22(18)5-3-10-26-24/h2-8,10,14,20,29H,9,11-13,15-17H2,1H3/p+1/t20-/m0/s1