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

Systemtic Name: 4-chloranyl-2-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-chloro-2-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-chloro-2-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-chloro-2-[[4-[5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-chloro-2-[[4-[5-(3-methoxyphenyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C28H28ClN4O2+ MolecularWeight: 488.00052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC4=C(C=CC(=C4)Cl)O)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN=C(N=C2C3CC[NH+](CC3)CC4=C(C=CC(=C4)Cl)O)C5=CC=NC=C5

InChI

InChI=1S/C28H27ClN4O2/c1-35-24-4-2-3-21(16-24)25-17-31-28(20-7-11-30-12-8-20)32-27(25)19-9-13-33(14-10-19)18-22-15-23(29)5-6-26(22)34/h2-8,11-12,15-17,19,34H,9-10,13-14,18H2,1H3/p+1