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

Systemtic Name: 5-methoxy-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 5-methoxy-2-[[4-[5-(m-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 5-methoxy-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 5-methoxy-2-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 5-methoxy-2-[[4-[5-(m-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C29H31N4O2+ MolecularWeight: 467.58204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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