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

Systemtic Name: (3R,4R)-1-[(4-fluoranyl-2-methoxy-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(4-fluoro-2-methoxy-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(4-fluoro-2-methoxyphenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(4-fluoro-2-methoxyphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(4-fluoro-2-methoxy-benzyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C22H32FN4O2+3 MolecularWeight: 403.513483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)C[NH+]2CCC(C(C2)O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=C(C=CC(=C1)F)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H29FN4O2/c1-29-21-14-18(23)6-5-17(21)15-25-9-7-19(20(28)16-25)26-10-12-27(13-11-26)22-4-2-3-8-24-22/h2-6,8,14,19-20,28H,7,9-13,15-16H2,1H3/p+3/t19-,20-/m1/s1