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2-[(4aR)-7-(azepan-1-ium-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile
2-[(4aR)-7-(azepan-1-ium-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC[NH+](CC1)C2=CC3=CC(=C(C#N)C#N)CCC3CC2
Isomeric SMILES
C1CCC[NH+](CC1)C2=CC3=CC(=C(C#N)C#N)CC[C@@H]3CC2
InChI
InChI=1S/C19H23N3/c20-13-18(14-21)16-6-5-15-7-8-19(12-17(15)11-16)22-9-3-1-2-4-10-22/h11-12,15H,1-10H2/p+1/t15-/m1/s1
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