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

Systemtic Name: 4-bromanyl-2-[(2S,6R)-2-(furan-2-yl)-4-phenyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Openeye Name: 4-bromo-2-[(2S,6R)-2-(2-furyl)-4-phenyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol CAS Name: 4-bromo-2-[(2S,6R)-2-(2-furanyl)-4-phenyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol IUPAC Name: 4-bromo-2-[(2S,6R)-2-(furan-2-yl)-4-phenyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Traditional Name: 4-bromo-2-[(2S,6R)-2-(2-furyl)-4-phenyl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Formula: C20H18BrN2O2+ MolecularWeight: 398.27312

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(N=C1C2=CC=CC=C2)C3=CC=CO3)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

C1[C@@H]([NH2+][C@@H](N=C1C2=CC=CC=C2)C3=CC=CO3)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C20H17BrN2O2/c21-14-8-9-18(24)15(11-14)17-12-16(13-5-2-1-3-6-13)22-20(23-17)19-7-4-10-25-19/h1-11,17,20,23-24H,12H2/p+1/t17-,20-/m1/s1