4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-3-ium-3-yl)phenoxy]-6-methyl-pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-3-ium-3-yl)phenoxy]-6-methyl-pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-3-ium-3-yl)phenoxy]-6-methyl-pyrimidine CAS Name: 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-3-ium-3-yl)phenoxy]-6-methylpyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-3-ium-3-yl)phenoxy]-6-methylpyrimidine Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-3-ium-3-yl)phenoxy]-6-methyl-pyrimidine Formula: C21H17N4O4+ MolecularWeight: 389.38408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)OC2=CC=C(C=C2)[N+]3=CNC=C3)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NC(=N1)OC2=CC=C(C=C2)[N+]3=CNC=C3)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16N4O4/c1-14-10-20(28-17-6-7-18-19(11-17)27-13-26-18)24-21(23-14)29-16-4-2-15(3-5-16)25-9-8-22-12-25/h2-12H,13H2,1H3/p+1