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

Systemtic Name: 2-methoxy-4-[(2S)-2-[4-[5-(3-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]propyl]phenol Openeye Name: 2-methoxy-4-[(2S)-2-[4-[5-(m-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]propyl]phenol CAS Name: 2-methoxy-4-[(2S)-2-[4-[5-(3-methylphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidin-1-iumyl]propyl]phenol IUPAC Name: 2-methoxy-4-[(2S)-2-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-ium-1-yl]propyl]phenol Traditional Name: 2-methoxy-4-[(2S)-2-[4-[5-(m-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]propyl]phenol Formula: C31H35N4O2+ MolecularWeight: 495.6352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N4O2/c1-21-5-4-6-26(17-21)27-20-33-31(25-9-13-32-14-10-25)34-30(27)24-11-15-35(16-12-24)22(2)18-23-7-8-28(36)29(19-23)37-3/h4-10,13-14,17,19-20,22,24,36H,11-12,15-16,18H2,1-3H3/p+1/t22-/m0/s1