N,N'-bis(1-ethylpyridin-1-ium-2-yl)-N,N'-dipyridin-2-yl-decane-1,10-diamine iodide

Systemtic Name: N,N'-bis(1-ethylpyridin-1-ium-2-yl)-N,N'-dipyridin-2-yl-decane-1,10-diamine iodide Openeye Name: N,N'-bis(1-ethylpyridin-1-ium-2-yl)-N,N'-bis(2-pyridyl)decane-1,10-diamine iodide CAS Name: N,N'-bis(1-ethyl-2-pyridin-1-iumyl)-N,N'-bis(2-pyridinyl)decane-1,10-diamine iodide IUPAC Name: N,N'-bis(1-ethylpyridin-1-ium-2-yl)-N,N'-dipyridin-2-yldecane-1,10-diamine iodide Traditional Name: (1-ethylpyridin-1-ium-2-yl)-[10-[(1-ethylpyridin-1-ium-2-yl)-(2-pyridyl)amino]decyl]-(2-pyridyl)amine iodide Formula: C34H46IN6+ MolecularWeight: 665.67371

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1N(CCCCCCCCCCN(C2=CC=CC=N2)C3=CC=CC=[N+]3CC)C4=CC=CC=N4.[I-]

Isomeric SMILES

CC[N+]1=CC=CC=C1N(CCCCCCCCCCN(C2=CC=CC=N2)C3=CC=CC=[N+]3CC)C4=CC=CC=N4.[I-]

InChI

InChI=1S/C34H46N6.HI/c1-3-37-27-19-13-23-33(37)39(31-21-11-15-25-35-31)29-17-9-7-5-6-8-10-18-30-40(32-22-12-16-26-36-32)34-24-14-20-28-38(34)4-2;/h11-16,19-28H,3-10,17-18,29-30H2,1-2H3;1H/q+2;/p-1