2-ethoxy-4-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-4-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-4-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-4-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-4-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-4-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C30H33N4O3+ MolecularWeight: 497.60802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)C5=CC=NC=C5)O

InChI

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