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4-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
4-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
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Descriptors Computed from Structure
Canonical SMILES:
CC(CSC)[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3
Isomeric SMILES
C[C@@H](CSC)[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3
InChI
InChI=1S/C22H29N3O2S/c1-17(16-28-2)25-13-9-21(10-14-25)27-20-5-3-19(4-6-20)22(26)24-15-18-7-11-23-12-8-18/h3-8,11-12,17,21H,9-10,13-16H2,1-2H3,(H,24,26)/p+1/t17-/m0/s1
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