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

Systemtic Name: 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC(=CC=C3)OC)C4=C(C(=CC=C4)OCC)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC(=CC=C3)OC)C4=C(C(=CC=C4)OCC)O

InChI

InChI=1S/C27H30N2O3/c1-4-18-12-14-19(15-13-18)23-17-24(22-10-7-11-25(26(22)30)32-5-2)29-27(28-23)20-8-6-9-21(16-20)31-3/h6-17,24,27-30H,4-5H2,1-3H3/p+1