2-phenyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-4-amine

Systemtic Name: 2-phenyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-4-amine Openeye Name: 2-phenyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-4-amine CAS Name: 2-phenyl-5-[(3,4,5-trimethoxyphenyl)methyl]-4-pyrimidine-1,3-diiumamine IUPAC Name: 2-phenyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-4-amine Traditional Name: [2-phenyl-5-(3,4,5-trimethoxybenzyl)pyrimidine-1,3-diium-4-yl]amine Formula: C20H23N3O3+2 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=C[NH+]=C([NH+]=C2N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=C[NH+]=C([NH+]=C2N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3/c1-24-16-10-13(11-17(25-2)18(16)26-3)9-15-12-22-20(23-19(15)21)14-7-5-4-6-8-14/h4-8,10-12H,9H2,1-3H3,(H2,21,22,23)/p+2