1,4-bis[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1,4-bis[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1,4-bis[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1,4-bis[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1,4-bis[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1,4-bis(2,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C24H35N2O6+ MolecularWeight: 447.5445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)CC3=CC(=C(C=C3OC)OC)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)CC3=CC(=C(C=C3OC)OC)OC)OC)OC

InChI

InChI=1S/C24H34N2O6/c1-27-19-13-23(31-5)21(29-3)11-17(19)15-25-7-9-26(10-8-25)16-18-12-22(30-4)24(32-6)14-20(18)28-2/h11-14H,7-10,15-16H2,1-6H3/p+1