4-[(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-yl-pyrimidine

Systemtic Name: 4-[(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[(3S)-1-(2-furylmethyl)piperidin-1-ium-3-yl]-5-phenyl-2-(4-pyridyl)pyrimidine CAS Name: 4-[(3S)-1-(2-furanylmethyl)-3-piperidin-1-iumyl]-5-phenyl-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-5-phenyl-2-pyridin-4-ylpyrimidine Traditional Name: 4-[(3S)-1-(2-furfuryl)piperidin-1-ium-3-yl]-5-phenyl-2-(4-pyridyl)pyrimidine Formula: C25H25N4O+ MolecularWeight: 397.4922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CO2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CO2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C25H24N4O/c1-2-6-19(7-3-1)23-16-27-25(20-10-12-26-13-11-20)28-24(23)21-8-4-14-29(17-21)18-22-9-5-15-30-22/h1-3,5-7,9-13,15-16,21H,4,8,14,17-18H2/p+1/t21-/m0/s1