4-[1-[(E)-3-(furan-2-yl)-2-methyl-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)-2-methyl-prop-2-enyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[1-[(E)-3-(2-furyl)-2-methyl-allyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidine CAS Name: 4-[1-[(E)-3-(2-furanyl)-2-methylprop-2-enyl]-4-piperidin-1-iumyl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 4-[1-[(E)-3-(2-furyl)-2-methyl-allyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidine Formula: C29H31N4O2+ MolecularWeight: 467.58204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CO1)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5

Isomeric SMILES

C/C(=C\C1=CC=CO1)/C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5

InChI

InChI=1S/C29H30N4O2/c1-21(17-26-7-4-16-35-26)20-33-14-10-22(11-15-33)28-27(24-5-3-6-25(18-24)34-2)19-31-29(32-28)23-8-12-30-13-9-23/h3-9,12-13,16-19,22H,10-11,14-15,20H2,1-2H3/p+1/b21-17+