2,6-dimethoxy-4-[[4-(pyridin-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-(pyridin-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-(2-pyridylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-(2-pyridinylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-(pyridin-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(2-pyridylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C19H27N3O3+2 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C19H25N3O3/c1-24-17-11-15(12-18(25-2)19(17)23)13-21-7-9-22(10-8-21)14-16-5-3-4-6-20-16/h3-6,11-12,23H,7-10,13-14H2,1-2H3/p+2