1-oxidanidyl-3-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)pyridin-1-ium

Systemtic Name: 1-oxidanidyl-3-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)pyridin-1-ium Openeye Name: 1-oxido-3-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)pyridin-1-ium CAS Name: 1-oxido-3-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)pyridin-1-ium IUPAC Name: 1-oxido-3-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)pyridin-1-ium Traditional Name: 1-oxido-3-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)pyridin-1-ium Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12COC(OC1)(OC2)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CCCC12COC(OC1)(OC2)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C13H17NO4/c1-2-5-12-8-16-13(17-9-12,18-10-12)11-4-3-6-14(15)7-11/h3-4,6-7H,2,5,8-10H2,1H3