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2-[4-(4-butylphenyl)but-3-ynyl]-5,6,7,8-tetrahydroisoquinolin-2-ium bromide
2-[4-(4-butylphenyl)but-3-ynyl]-5,6,7,8-tetrahydroisoquinolin-2-ium bromide
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Descriptors Computed from Structure
Canonical SMILES:
CCCCC1=CC=C(C=C1)C#CCC[N+]2=CC3=C(CCCC3)C=C2.[Br-]
Isomeric SMILES
CCCCC1=CC=C(C=C1)C#CCC[N+]2=CC3=C(CCCC3)C=C2.[Br-]
InChI
InChI=1S/C23H28N.BrH/c1-2-3-8-20-12-14-21(15-13-20)9-6-7-17-24-18-16-22-10-4-5-11-23(22)19-24;/h12-16,18-19H,2-5,7-8,10-11,17H2,1H3;1H/q+1;/p-1
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