4-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidine

Systemtic Name: 4-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidine CAS Name: 4-[1-[(5-ethyl-2-furanyl)methyl]-4-piperidin-1-iumyl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 4-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidine Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5

InChI

InChI=1S/C28H30N4O2/c1-3-23-7-8-25(34-23)19-32-15-11-20(12-16-32)27-26(22-5-4-6-24(17-22)33-2)18-30-28(31-27)21-9-13-29-14-10-21/h4-10,13-14,17-18,20H,3,11-12,15-16,19H2,1-2H3/p+1