2-[6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

Systemtic Name: 2-[6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[6-(3-methoxyphenyl)-2-(3-pyridyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[6-(3-methoxyphenyl)-2-(3-pyridinyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[6-(3-methoxyphenyl)-2-pyridin-3-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[6-(3-methoxyphenyl)-2-(3-pyridyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C22H22N3O2+ MolecularWeight: 360.42898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC([NH2+]C(N2)C3=CN=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC([NH2+]C(N2)C3=CN=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C22H21N3O2/c1-27-17-8-4-6-15(12-17)19-13-20(18-9-2-3-10-21(18)26)25-22(24-19)16-7-5-11-23-14-16/h2-14,20,22,24-26H,1H3/p+1