4-[1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-5-(3-methylphenyl)-2-pyridin-4-yl-pyrimidine

Systemtic Name: 4-[1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-5-(3-methylphenyl)-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[1-[(4-fluoro-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-5-(m-tolyl)-2-(4-pyridyl)pyrimidine CAS Name: 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine IUPAC Name: 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine Traditional Name: 4-[1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-4-yl]-5-(m-tolyl)-2-(4-pyridyl)pyrimidine Formula: C29H30FN4O+ MolecularWeight: 469.573103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC4=CC(=C(C=C4)F)OC)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC4=CC(=C(C=C4)F)OC)C5=CC=NC=C5

InChI

InChI=1S/C29H29FN4O/c1-20-4-3-5-24(16-20)25-18-32-29(23-8-12-31-13-9-23)33-28(25)22-10-14-34(15-11-22)19-21-6-7-26(30)27(17-21)35-2/h3-9,12-13,16-18,22H,10-11,14-15,19H2,1-2H3/p+1