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

Systemtic Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(3-benzyloxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-methyl-1-piperazin-4-iumyl)-1-[(3-phenylmethoxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(3-benzoxybenzyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O2/c1-25-12-14-27(15-13-25)23-10-11-26(18-24(23)28)17-21-8-5-9-22(16-21)29-19-20-6-3-2-4-7-20/h2-9,16,23-24,28H,10-15,17-19H2,1H3/p+2/t23-,24-/m1/s1