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

Systemtic Name: 4-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidine CAS Name: 4-[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 4-[1-(2,5-dimethoxybenzyl)piperidin-1-ium-4-yl]-5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidine Formula: C30H33N4O3+ MolecularWeight: 497.60802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5

InChI

InChI=1S/C30H32N4O3/c1-35-25-6-4-5-23(17-25)27-19-32-30(22-9-13-31-14-10-22)33-29(27)21-11-15-34(16-12-21)20-24-18-26(36-2)7-8-28(24)37-3/h4-10,13-14,17-19,21H,11-12,15-16,20H2,1-3H3/p+1