2-methoxy-6-[[(3S)-3-[5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-6-[[(3S)-3-[5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-6-[[(3S)-3-[5-(o-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-6-[[(3S)-3-[5-(2-methylphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-6-[[(3S)-3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-6-[[(3S)-3-[5-(o-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=C1C2=CN=C(N=C2C3CCC[NH+](C3)CC4=C(C(=CC=C4)OC)O)C5=CC=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O2/c1-20-7-3-4-10-24(20)25-17-31-29(21-12-14-30-15-13-21)32-27(25)22-9-6-16-33(18-22)19-23-8-5-11-26(35-2)28(23)34/h3-5,7-8,10-15,17,22,34H,6,9,16,18-19H2,1-2H3/p+1/t22-/m0/s1