5-(1,4-diazoniabicyclo[2.2.2]octan-4-ylmethyl)-1,2-dimethyl-pyrimidin-1-ium-4-amine

Systemtic Name: 5-(1,4-diazoniabicyclo[2.2.2]octan-4-ylmethyl)-1,2-dimethyl-pyrimidin-1-ium-4-amine Openeye Name: 5-(1,4-diazoniabicyclo[2.2.2]octan-4-ylmethyl)-1,2-dimethyl-pyrimidin-1-ium-4-amine CAS Name: 5-(1,4-diazoniabicyclo[2.2.2]octan-4-ylmethyl)-1,2-dimethyl-4-pyrimidin-1-iumamine IUPAC Name: 5-(1,4-diazoniabicyclo[2.2.2]octan-4-ylmethyl)-1,2-dimethylpyrimidin-1-ium-4-amine Traditional Name: [5-(1,4-diazoniabicyclo[2.2.2]octan-4-ylmethyl)-1,2-dimethyl-pyrimidin-1-ium-4-yl]amine Formula: C13H24N5+3 MolecularWeight: 250.36316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)C[N+]23CC[NH+](CC2)CC3)C

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)C[N+]23CC[NH+](CC2)CC3)C

InChI

InChI=1S/C13H22N5/c1-11-15-13(14)12(9-16(11)2)10-18-6-3-17(4-7-18)5-8-18/h9,14H,3-8,10H2,1-2H3/q+1/p+2