1-(pyridin-1-ium-3-ylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(pyridin-1-ium-3-ylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(pyridin-1-ium-3-ylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(3-pyridin-1-iumylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(pyridin-1-ium-3-ylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(pyridin-1-ium-3-ylmethyl)-4-(2,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C20H30N3O3+3 MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=C[NH+]=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=C[NH+]=CC=C3)OC)OC

InChI

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