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

Systemtic Name: N,N'-bis[1-(undecoxymethyl)pyridin-1-ium-3-yl]methanediamine dichloride Openeye Name: N,N'-bis[1-(undecoxymethyl)pyridin-1-ium-3-yl]methanediamine dichloride CAS Name: N,N'-bis[1-(undecoxymethyl)-3-pyridin-1-iumyl]methanediamine dichloride IUPAC Name: N,N'-bis[1-(undecoxymethyl)pyridin-1-ium-3-yl]methanediamine dichloride Traditional Name: [1-(undecoxymethyl)pyridin-1-ium-3-yl]-[[[1-(undecoxymethyl)pyridin-1-ium-3-yl]amino]methyl]amine dichloride Formula: C35H62Cl2N4O2 MolecularWeight: 641.79838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H62N4O2.2ClH/c1-3-5-7-9-11-13-15-17-19-27-40-32-38-25-21-23-34(29-38)36-31-37-35-24-22-26-39(30-35)33-41-28-20-18-16-14-12-10-8-6-4-2;;/h21-26,29-30,36-37H,3-20,27-28,31-33H2,1-2H3;2*1H/q+2;;/p-2