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methyl-phenethyl-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]azanium
methyl-phenethyl-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]azanium
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Descriptors Computed from Structure
Canonical SMILES:
C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)S(=O)(=O)C3=CSC=C3
Isomeric SMILES
C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)S(=O)(=O)C3=CSC=C3
InChI
InChI=1S/C18H24N2O2S2/c1-19(12-9-16-6-3-2-4-7-16)17-8-5-11-20(14-17)24(21,22)18-10-13-23-15-18/h2-4,6-7,10,13,15,17H,5,8-9,11-12,14H2,1H3/p+1/t17-/m0/s1
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