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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCC[NH+](C3)CC4=C(C=C(C=C4)O)OC)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2[C@H]3CCC[NH+](C3)CC4=C(C=C(C=C4)O)OC)C5=CC=NC=C5

InChI

InChI=1S/C29H30N4O2/c1-20-6-3-4-8-25(20)26-17-31-29(21-11-13-30-14-12-21)32-28(26)23-7-5-15-33(19-23)18-22-9-10-24(34)16-27(22)35-2/h3-4,6,8-14,16-17,23,34H,5,7,15,18-19H2,1-2H3/p+1/t23-/m0/s1