2,6-dimethoxy-4-[[4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-(3-pyridin-1-iumylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C19H28N3O3+3 MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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