2-[2-(4-methylphenyl)-6-thiophen-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

Systemtic Name: 2-[2-(4-methylphenyl)-6-thiophen-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 2-[2-(p-tolyl)-6-(2-thienyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 2-[2-(4-methylphenyl)-6-thiophen-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 2-[2-(4-methylphenyl)-6-thiophen-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 2-[2-(p-tolyl)-6-(2-thienyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C21H21N2OS+ MolecularWeight: 349.46924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2[NH2+]C(C=C(N2)C3=CC=CS3)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC=C(C=C1)C2[NH2+]C(C=C(N2)C3=CC=CS3)C4=CC=CC=C4O

InChI

InChI=1S/C21H20N2OS/c1-14-8-10-15(11-9-14)21-22-17(16-5-2-3-6-19(16)24)13-18(23-21)20-7-4-12-25-20/h2-13,17,21-24H,1H3/p+1