N,N'-bis[1-(dodecoxymethyl)pyridin-1-ium-3-yl]methanediamine dichloride

Systemtic Name: N,N'-bis[1-(dodecoxymethyl)pyridin-1-ium-3-yl]methanediamine dichloride Openeye Name: N,N'-bis[1-(dodecoxymethyl)pyridin-1-ium-3-yl]methanediamine dichloride CAS Name: N,N'-bis[1-(dodecoxymethyl)-3-pyridin-1-iumyl]methanediamine dichloride IUPAC Name: N,N'-bis[1-(dodecoxymethyl)pyridin-1-ium-3-yl]methanediamine dichloride Traditional Name: [1-(lauryloxymethyl)pyridin-1-ium-3-yl]-[[[1-(lauryloxymethyl)pyridin-1-ium-3-yl]amino]methyl]amine dichloride Formula: C37H66Cl2N4O2 MolecularWeight: 669.85154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC[N+]1=CC=CC(=C1)NCNC2=C[N+](=CC=C2)COCCCCCCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOC[N+]1=CC=CC(=C1)NCNC2=C[N+](=CC=C2)COCCCCCCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C37H66N4O2.2ClH/c1-3-5-7-9-11-13-15-17-19-21-29-42-34-40-27-23-25-36(31-40)38-33-39-37-26-24-28-41(32-37)35-43-30-22-20-18-16-14-12-10-8-6-4-2;;/h23-28,31-32,38-39H,3-22,29-30,33-35H2,1-2H3;2*1H/q+2;;/p-2