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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC=CC=N3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC=CC=N3)OC)OC

InChI

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