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

Systemtic Name: 2-[(2S,6R)-4-phenyl-2-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Openeye Name: 2-[(2S,6R)-4-phenyl-2-(2-thienyl)-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol CAS Name: 2-[(2S,6R)-4-phenyl-2-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol IUPAC Name: 2-[(2S,6R)-4-phenyl-2-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Traditional Name: 2-[(2S,6R)-4-phenyl-2-(2-thienyl)-1,2,5,6-tetrahydropyrimidin-1-ium-6-yl]phenol Formula: C20H19N2OS+ MolecularWeight: 335.44266

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(N=C1C2=CC=CC=C2)C3=CC=CS3)C4=CC=CC=C4O

Isomeric SMILES

C1[C@@H]([NH2+][C@@H](N=C1C2=CC=CC=C2)C3=CC=CS3)C4=CC=CC=C4O

InChI

InChI=1S/C20H18N2OS/c23-18-10-5-4-9-15(18)17-13-16(14-7-2-1-3-8-14)21-20(22-17)19-11-6-12-24-19/h1-12,17,20,22-23H,13H2/p+1/t17-,20-/m1/s1