1-(pyridin-4-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(pyridin-4-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(4-pyridylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(pyridin-4-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(pyridin-4-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-pyridylmethyl)-4-(3,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C20H29N3O3+2 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H27N3O3/c1-24-18-12-17(13-19(25-2)20(18)26-3)15-23-10-8-22(9-11-23)14-16-4-6-21-7-5-16/h4-7,12-13H,8-11,14-15H2,1-3H3/p+2