2-[6-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-bromanyl-phenol

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-bromanyl-phenol Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)-2-isopropyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-bromo-phenol CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-bromophenol IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-2-propan-2-yl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-bromophenol Traditional Name: 2-[6-(1,3-benzodioxol-5-yl)-2-isopropyl-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-bromo-phenol Formula: C20H22BrN2O3+ MolecularWeight: 418.30428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1[NH2+]C(C=C(N1)C2=CC3=C(C=C2)OCO3)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

CC(C)C1[NH2+]C(C=C(N1)C2=CC3=C(C=C2)OCO3)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C20H21BrN2O3/c1-11(2)20-22-15(12-3-6-18-19(7-12)26-10-25-18)9-16(23-20)14-8-13(21)4-5-17(14)24/h3-9,11,16,20,22-24H,10H2,1-2H3/p+1