(1R,6R)-5-pyrimidin-5-yl-9-azoniabicyclo[4.2.1]non-4-ene chloride

Systemtic Name: (1R,6R)-5-pyrimidin-5-yl-9-azoniabicyclo[4.2.1]non-4-ene chloride Openeye Name: (1R,6R)-5-pyrimidin-5-yl-9-azoniabicyclo[4.2.1]non-4-ene chloride CAS Name: (1R,6R)-5-(5-pyrimidinyl)-9-azoniabicyclo[4.2.1]non-4-ene chloride IUPAC Name: (1R,6R)-5-pyrimidin-5-yl-9-azoniabicyclo[4.2.1]non-4-ene chloride Traditional Name: (1R,6R)-5-(5-pyrimidyl)-9-azoniabicyclo[4.2.1]non-4-ene chloride Formula: C12H16ClN3 MolecularWeight: 237.72854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC([NH2+]2)C(=C1)C3=CN=CN=C3.[Cl-]

Isomeric SMILES

C1C[C@@H]2CC[C@@H]([NH2+]2)C(=C1)C3=CN=CN=C3.[Cl-]

InChI

InChI=1S/C12H15N3.ClH/c1-2-10-4-5-12(15-10)11(3-1)9-6-13-8-14-7-9;/h3,6-8,10,12,15H,1-2,4-5H2;1H/t10-,12-;/m1./s1