(3R,4R)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(4-benzoxy-3-methoxy-benzyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C25H37N3O3+2 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2O)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H35N3O3/c1-26-12-14-28(15-13-26)22-10-11-27(18-23(22)29)17-21-8-9-24(25(16-21)30-2)31-19-20-6-4-3-5-7-20/h3-9,16,22-23,29H,10-15,17-19H2,1-2H3/p+2/t22-,23-/m1/s1