(3R,4R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(4-phenethyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(2-fluoro-4-methoxy-benzyl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C25H36FN3O2+2 MolecularWeight: 429.570643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(C(C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4)F

InChI

InChI=1S/C25H34FN3O2/c1-31-22-8-7-21(23(26)17-22)18-28-12-10-24(25(30)19-28)29-15-13-27(14-16-29)11-9-20-5-3-2-4-6-20/h2-8,17,24-25,30H,9-16,18-19H2,1H3/p+2/t24-,25-/m1/s1