1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(4-pyridylmethyl)piperazine-1,4-diium Formula: C19H27N3O2+2 MolecularWeight: 329.43658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C19H25N3O2/c1-23-18-3-4-19(24-2)17(13-18)15-22-11-9-21(10-12-22)14-16-5-7-20-8-6-16/h3-8,13H,9-12,14-15H2,1-2H3/p+2