methyl 4-[4-(5-chloranyl-2-oxidanyl-phenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoate

Systemtic Name: methyl 4-[4-(5-chloranyl-2-oxidanyl-phenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoate Openeye Name: methyl 4-[4-(5-chloro-2-hydroxy-phenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoate CAS Name: 4-[4-(5-chloro-2-hydroxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5-chloro-2-hydroxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoate Traditional Name: 4-[4-(5-chloro-2-hydroxy-phenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoic acid methyl ester Formula: C25H24ClN2O3+ MolecularWeight: 435.92266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC=C(C=C3)C(=O)OC)C4=C(C=CC(=C4)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC=C(C=C3)C(=O)OC)C4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C25H23ClN2O3/c1-15-3-5-16(6-4-15)21-14-22(20-13-19(26)11-12-23(20)29)28-24(27-21)17-7-9-18(10-8-17)25(30)31-2/h3-14,22,24,27-29H,1-2H3/p+1