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

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-(1-phenyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(1-phenyl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-4-(1-phenyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C25H35FN3O2+ MolecularWeight: 428.562703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2CCO)C3CCN(CC3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)C3CCN(CC3)C4=CC=CC=C4)F

InChI

InChI=1S/C25H34FN3O2/c1-31-24-8-7-20(25(26)17-24)18-28-14-15-29(19-23(28)11-16-30)22-9-12-27(13-10-22)21-5-3-2-4-6-21/h2-8,17,22-23,30H,9-16,18-19H2,1H3/p+1/t23-/m0/s1