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

Systemtic Name: N,N'-bis[1-(nonoxymethyl)pyridin-1-ium-3-yl]methanediamine Openeye Name: N,N'-bis[1-(nonoxymethyl)pyridin-1-ium-3-yl]methanediamine CAS Name: N,N'-bis[1-(nonoxymethyl)-3-pyridin-1-iumyl]methanediamine IUPAC Name: N,N'-bis[1-(nonoxymethyl)pyridin-1-ium-3-yl]methanediamine Traditional Name: [1-(nonoxymethyl)pyridin-1-ium-3-yl]-[[[1-(nonoxymethyl)pyridin-1-ium-3-yl]amino]methyl]amine Formula: C31H54N4O2+2 MolecularWeight: 514.78606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC[N+]1=CC=CC(=C1)NCNC2=C[N+](=CC=C2)COCCCCCCCCC

Isomeric SMILES

CCCCCCCCCOC[N+]1=CC=CC(=C1)NCNC2=C[N+](=CC=C2)COCCCCCCCCC

InChI

InChI=1S/C31H54N4O2/c1-3-5-7-9-11-13-15-23-36-28-34-21-17-19-30(25-34)32-27-33-31-20-18-22-35(26-31)29-37-24-16-14-12-10-8-6-4-2/h17-22,25-26,32-33H,3-16,23-24,27-29H2,1-2H3/q+2