2-[3-(cyanomethyl)-5-ethyl-1-methyl-9-oxidanylidene-3,7-diazoniabicyclo[3.3.1]nonan-7-yl]ethanenitrile

Systemtic Name: 2-[3-(cyanomethyl)-5-ethyl-1-methyl-9-oxidanylidene-3,7-diazoniabicyclo[3.3.1]nonan-7-yl]ethanenitrile Openeye Name: 2-[3-(cyanomethyl)-5-ethyl-1-methyl-9-oxo-3,7-diazoniabicyclo[3.3.1]nonan-7-yl]acetonitrile CAS Name: 2-[3-(cyanomethyl)-5-ethyl-1-methyl-9-oxo-3,7-diazoniabicyclo[3.3.1]nonan-7-yl]acetonitrile IUPAC Name: 2-[3-(cyanomethyl)-5-ethyl-1-methyl-9-oxo-3,7-diazoniabicyclo[3.3.1]nonan-7-yl]acetonitrile Traditional Name: 2-[3-(cyanomethyl)-5-ethyl-9-keto-1-methyl-3,7-diazoniabicyclo[3.3.1]nonan-7-yl]acetonitrile Formula: C14H22N4O+2 MolecularWeight: 262.35068

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C[NH+](CC(C1=O)(C[NH+](C2)CC#N)C)CC#N

Isomeric SMILES

CCC12C[NH+](CC(C1=O)(C[NH+](C2)CC#N)C)CC#N

InChI

InChI=1S/C14H20N4O/c1-3-14-10-17(6-4-15)8-13(2,12(14)19)9-18(11-14)7-5-16/h3,6-11H2,1-2H3/p+2