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5-[2-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]ethynyl]pyrimidine
5-[2-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]ethynyl]pyrimidine
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Descriptors Computed from Structure
Canonical SMILES:
C1CCN(C1)C2CCC[NH+](C2)CC3=CC=C(C=C3)C#CC4=CN=CN=C4
Isomeric SMILES
C1CCN(C1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)C#CC4=CN=CN=C4
InChI
InChI=1S/C22H26N4/c1-2-13-26(12-1)22-4-3-11-25(17-22)16-20-8-5-19(6-9-20)7-10-21-14-23-18-24-15-21/h5-6,8-9,14-15,18,22H,1-4,11-13,16-17H2/p+1/t22-/m0/s1
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