(3S)-N-methyl-N-(2-pyridin-2-ylethyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-methyl-N-(2-pyridin-2-ylethyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-N-[2-(2-pyridyl)ethyl]-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-[2-(2-pyridinyl)ethyl]-1-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-N-(2-pyridin-2-ylethyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-1-ium-3-amine Traditional Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-[4-[2-(5-pyrimidyl)ethynyl]benzyl]piperidin-1-ium-3-yl]amine Formula: C26H30N5+ MolecularWeight: 412.5499

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2CCC[NH+](C2)CC3=CC=C(C=C3)C#CC4=CN=CN=C4

Isomeric SMILES

CN(CCC1=CC=CC=N1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)C#CC4=CN=CN=C4

InChI

InChI=1S/C26H29N5/c1-30(16-13-25-5-2-3-14-29-25)26-6-4-15-31(20-26)19-23-10-7-22(8-11-23)9-12-24-17-27-21-28-18-24/h2-3,5,7-8,10-11,14,17-18,21,26H,4,6,13,15-16,19-20H2,1H3/p+1/t26-/m0/s1