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1-[3-(3-methylphenoxy)propyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium
1-[3-(3-methylphenoxy)propyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium
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Canonical SMILES:
CC1=CC(=CC=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]
Isomeric SMILES
CC1=CC(=CC=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C20H25N3O5S/c1-17-6-4-7-18(16-17)28-15-5-10-21-11-13-22(14-12-21)29(26,27)20-9-3-2-8-19(20)23(24)25/h2-4,6-9,16H,5,10-15H2,1H3/p+1
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