(3R,4R)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(2-hydroxy-5-methoxy-benzyl)-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C22H32N4O3+2 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCC(C(C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CC[C@H]([C@@H](C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H30N4O3/c1-29-18-5-6-20(27)17(14-18)15-24-9-7-19(21(28)16-24)25-10-12-26(13-11-25)22-4-2-3-8-23-22/h2-6,8,14,19,21,27-28H,7,9-13,15-16H2,1H3/p+2/t19-,21-/m1/s1