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2-[(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]piperidin-1-ium-1-yl]ethanol
2-[(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]piperidin-1-ium-1-yl]ethanol
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Descriptors Computed from Structure
Canonical SMILES:
C1CC(C[NH+](C1)CCO)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4
Isomeric SMILES
C1C[C@H](C[NH+](C1)CCO)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H29N3O3/c23-11-10-20-5-1-2-17(14-20)22-8-6-21(7-9-22)13-16-3-4-18-19(12-16)25-15-24-18/h3-4,12,17,23H,1-2,5-11,13-15H2/p+2/t17-/m1/s1
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