1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinan-1-ium

Systemtic Name: 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinan-1-ium Openeye Name: 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]hexahydropyrimidin-1-ium CAS Name: 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinan-1-ium IUPAC Name: 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinan-1-ium Traditional Name: 1,3-bis(3,4,5-trimethoxybenzyl)hexahydropyrimidin-1-ium Formula: C24H35N2O6+ MolecularWeight: 447.5445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCCN(C2)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCCN(C2)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C24H34N2O6/c1-27-19-10-17(11-20(28-2)23(19)31-5)14-25-8-7-9-26(16-25)15-18-12-21(29-3)24(32-6)22(13-18)30-4/h10-13H,7-9,14-16H2,1-6H3/p+1