4-(5-methyl-1,3-dioxan-2-yl)-1-propyl-pyridin-1-ium

Systemtic Name: 4-(5-methyl-1,3-dioxan-2-yl)-1-propyl-pyridin-1-ium Openeye Name: 4-(5-methyl-1,3-dioxan-2-yl)-1-propyl-pyridin-1-ium CAS Name: 4-(5-methyl-1,3-dioxan-2-yl)-1-propylpyridin-1-ium IUPAC Name: 4-(5-methyl-1,3-dioxan-2-yl)-1-propylpyridin-1-ium Traditional Name: 4-(5-methyl-1,3-dioxan-2-yl)-1-propyl-pyridin-1-ium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C=C1)C2OCC(CO2)C

Isomeric SMILES

CCC[N+]1=CC=C(C=C1)C2OCC(CO2)C

InChI

InChI=1S/C13H20NO2/c1-3-6-14-7-4-12(5-8-14)13-15-9-11(2)10-16-13/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3/q+1