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N,N-diethyl-1-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide
N,N-diethyl-1-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
CCN(CC)C(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC=C(O3)C
Isomeric SMILES
CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=C(O3)C
InChI
InChI=1S/C18H27N5O2/c1-4-22(5-2)18(24)17-13-23(20-19-17)15-7-6-10-21(11-15)12-16-9-8-14(3)25-16/h8-9,13,15H,4-7,10-12H2,1-3H3/p+1/t15-/m0/s1
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