2-[2-(2-ethoxyphenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

Systemtic Name: 2-[2-(2-ethoxyphenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[2-(2-ethoxyphenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[2-(2-ethoxyphenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[2-(2-ethoxyphenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[6-(4-ethylphenyl)-2-o-phenetyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC=CC=C3OCC)C4=CC=CC=C4O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC=CC=C3OCC)C4=CC=CC=C4O

InChI

InChI=1S/C26H28N2O2/c1-3-18-13-15-19(16-14-18)22-17-23(20-9-5-7-11-24(20)29)28-26(27-22)21-10-6-8-12-25(21)30-4-2/h5-17,23,26-29H,3-4H2,1-2H3/p+1