4-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidine

Systemtic Name: 4-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[1-[(E)-3-(2-furyl)allyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidine CAS Name: 4-[1-[(E)-3-(2-furanyl)prop-2-enyl]-4-piperidin-1-iumyl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 4-[1-[(E)-3-(2-furyl)allyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidine Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC=CC4=CC=CO4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)C/C=C/C4=CC=CO4)C5=CC=NC=C5

InChI

InChI=1S/C28H28N4O2/c1-33-25-6-2-5-23(19-25)26-20-30-28(22-9-13-29-14-10-22)31-27(26)21-11-16-32(17-12-21)15-3-7-24-8-4-18-34-24/h2-10,13-14,18-21H,11-12,15-17H2,1H3/p+1/b7-3+