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1-morpholin-4-yl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
1-morpholin-4-yl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
C1CC[NH+](CC1)CCSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4
Isomeric SMILES
C1CC[NH+](CC1)CCSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4
InChI
InChI=1S/C21H30N4OS/c22-16-19-17-6-2-3-7-18(17)20(25-10-13-26-14-11-25)23-21(19)27-15-12-24-8-4-1-5-9-24/h1-15H2/p+1
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