2-[(2R,6S)-4-(4-methylphenyl)-2-propan-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol

Systemtic Name: 2-[(2R,6S)-4-(4-methylphenyl)-2-propan-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Openeye Name: 2-[(2R,6S)-2-isopropyl-4-(p-tolyl)-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol CAS Name: 2-[(2R,6S)-4-(4-methylphenyl)-2-propan-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol IUPAC Name: 2-[(2R,6S)-4-(4-methylphenyl)-2-propan-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Traditional Name: 2-[(2R,6S)-2-isopropyl-4-(p-tolyl)-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Formula: C20H25N2O+ MolecularWeight: 309.4253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[C@@H]([NH2+][C@@H](C2)C3=CC=CC=C3O)C(C)C

InChI

InChI=1S/C20H24N2O/c1-13(2)20-21-17(15-10-8-14(3)9-11-15)12-18(22-20)16-6-4-5-7-19(16)23/h4-11,13,18,20,22-23H,12H2,1-3H3/p+1/t18-,20-/m0/s1