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2-hydroxyethyl-[3-[(4-methylsulfanylphenyl)methylazaniumyl]propyl]azanium
2-hydroxyethyl-[3-[(4-methylsulfanylphenyl)methylazaniumyl]propyl]azanium
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Descriptors Computed from Structure
Canonical SMILES:
CSC1=CC=C(C=C1)C[NH2+]CCC[NH2+]CCO
Isomeric SMILES
CSC1=CC=C(C=C1)C[NH2+]CCC[NH2+]CCO
InChI
InChI=1S/C13H22N2OS/c1-17-13-5-3-12(4-6-13)11-15-8-2-7-14-9-10-16/h3-6,14-16H,2,7-11H2,1H3/p+2
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