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

Systemtic Name: 2-[(2S,6R)-4-(4-methoxyphenyl)-2-propan-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Openeye Name: 2-[(2S,6R)-2-isopropyl-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol CAS Name: 2-[(2S,6R)-4-(4-methoxyphenyl)-2-propan-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol IUPAC Name: 2-[(2S,6R)-4-(4-methoxyphenyl)-2-propan-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Traditional Name: 2-[(2S,6R)-2-isopropyl-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1[NH2+]C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3O

Isomeric SMILES

CC(C)[C@H]1[NH2+][C@H](CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3O

InChI

InChI=1S/C20H24N2O2/c1-13(2)20-21-17(14-8-10-15(24-3)11-9-14)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-/m1/s1