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

Systemtic Name: (3S)-N-phenyl-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-phenyl-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-phenyl-1-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-phenyl-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-1-ium-3-amine Traditional Name: phenyl-[(3S)-1-[4-[2-(5-pyrimidyl)ethynyl]benzyl]piperidin-1-ium-3-yl]amine Formula: C24H25N4+ MolecularWeight: 369.4821

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C#CC3=CN=CN=C3)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)C#CC3=CN=CN=C3)NC4=CC=CC=C4

InChI

InChI=1S/C24H24N4/c1-2-5-23(6-3-1)27-24-7-4-14-28(18-24)17-21-11-8-20(9-12-21)10-13-22-15-25-19-26-16-22/h1-3,5-6,8-9,11-12,15-16,19,24,27H,4,7,14,17-18H2/p+1/t24-/m0/s1