1,3-benzodioxol-5-yl-(4-methyl-6-pyridin-1-ium-3-yl-1,5,2-dioxazinan-2-yl)methanone

Systemtic Name: 1,3-benzodioxol-5-yl-(4-methyl-6-pyridin-1-ium-3-yl-1,5,2-dioxazinan-2-yl)methanone Openeye Name: 1,3-benzodioxol-5-yl-(4-methyl-6-pyridin-1-ium-3-yl-1,5,2-dioxazinan-2-yl)methanone CAS Name: 1,3-benzodioxol-5-yl-[4-methyl-6-(3-pyridin-1-iumyl)-1,5,2-dioxazinan-2-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-(4-methyl-6-pyridin-1-ium-3-yl-1,5,2-dioxazinan-2-yl)methanone Traditional Name: 1,3-benzodioxol-5-yl-(4-methyl-6-pyridin-1-ium-3-yl-1,5,2-dioxazinan-2-yl)methanone Formula: C17H17N2O5+ MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(OC(O1)C2=C[NH+]=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CN(OC(O1)C2=C[NH+]=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N2O5/c1-11-9-19(24-17(23-11)13-3-2-6-18-8-13)16(20)12-4-5-14-15(7-12)22-10-21-14/h2-8,11,17H,9-10H2,1H3/p+1