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2-[(4aR)-7-(4-methylpiperazin-1-ium-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile
2-[(4aR)-7-(4-methylpiperazin-1-ium-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile
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Descriptors Computed from Structure
Canonical SMILES:
CN1CC[NH+](CC1)C2=CC3=CC(=C(C#N)C#N)CCC3CC2
Isomeric SMILES
CN1CC[NH+](CC1)C2=CC3=CC(=C(C#N)C#N)CC[C@@H]3CC2
InChI
InChI=1S/C18H22N4/c1-21-6-8-22(9-7-21)18-5-4-14-2-3-15(10-16(14)11-18)17(12-19)13-20/h10-11,14H,2-9H2,1H3/p+1/t14-/m1/s1
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