2-[6-(4-methylphenyl)-2-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

Systemtic Name: 2-[6-(4-methylphenyl)-2-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[2-isobutyl-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[6-(4-methylphenyl)-2-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[6-(4-methylphenyl)-2-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[2-isobutyl-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)CC(C)C)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)CC(C)C)C3=CC=CC=C3O

InChI

InChI=1S/C21H26N2O/c1-14(2)12-21-22-18(16-10-8-15(3)9-11-16)13-19(23-21)17-6-4-5-7-20(17)24/h4-11,13-14,19,21-24H,12H2,1-3H3/p+1