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

Systemtic Name: 2,6-dimethoxy-4-[[4-(pyridin-4-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-(4-pyridylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-(pyridin-4-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-(pyridin-4-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(4-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=NC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CC[NH+](CC2)CC3=CC=NC=C3

InChI

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