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

Systemtic Name: 2-[(2S,6R)-4-phenyl-2-propan-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Openeye Name: 2-[(2S,6R)-2-isopropyl-4-phenyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol CAS Name: 2-[(2S,6R)-4-phenyl-2-propan-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol IUPAC Name: 2-[(2S,6R)-4-phenyl-2-propan-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Traditional Name: 2-[(2S,6R)-2-isopropyl-4-phenyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Formula: C19H23N2O+ MolecularWeight: 295.39872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O/c1-13(2)19-20-16(14-8-4-3-5-9-14)12-17(21-19)15-10-6-7-11-18(15)22/h3-11,13,17,19,21-22H,12H2,1-2H3/p+1/t17-,19-/m1/s1