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(3S)-N-cyclopropyl-1-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
(3S)-N-cyclopropyl-1-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
C1CC(C[NH+](C1)C2CC[NH+](CC2)CCCN3C=CC=N3)C(=O)NC4CC4
Isomeric SMILES
C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CCCN3C=CC=N3)C(=O)NC4CC4
InChI
InChI=1S/C20H33N5O/c26-20(22-18-5-6-18)17-4-1-11-24(16-17)19-7-14-23(15-8-19)10-3-13-25-12-2-9-21-25/h2,9,12,17-19H,1,3-8,10-11,13-16H2,(H,22,26)/p+2/t17-/m0/s1
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