4-bromanyl-2-[6-(4-ethoxyphenyl)-2-propan-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

Systemtic Name: 4-bromanyl-2-[6-(4-ethoxyphenyl)-2-propan-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 4-bromo-2-[6-(4-ethoxyphenyl)-2-isopropyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 4-bromo-2-[6-(4-ethoxyphenyl)-2-propan-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 4-bromo-2-[6-(4-ethoxyphenyl)-2-propan-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 4-bromo-2-(2-isopropyl-6-p-phenetyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl)phenol Formula: C21H26BrN2O2+ MolecularWeight: 418.34734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C(C)C)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C(C)C)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C21H25BrN2O2/c1-4-26-16-8-5-14(6-9-16)18-12-19(24-21(23-18)13(2)3)17-11-15(22)7-10-20(17)25/h5-13,19,21,23-25H,4H2,1-3H3/p+1