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

Systemtic Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-4-amine Openeye Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-4-amine CAS Name: 5-[(3,4,5-trimethoxyphenyl)methyl]-4-pyrimidine-1,3-diiumamine IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-1,3-diium-4-amine Traditional Name: [5-(3,4,5-trimethoxybenzyl)pyrimidine-1,3-diium-4-yl]amine Formula: C14H19N3O3+2 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3/c1-18-11-5-9(6-12(19-2)13(11)20-3)4-10-7-16-8-17-14(10)15/h5-8H,4H2,1-3H3,(H2,15,16,17)/p+2