2,5,12-trimethyl-[1,4]benzodioxino[3,2-g]isoquinolin-2-ium ethanoate

Systemtic Name: 2,5,12-trimethyl-[1,4]benzodioxino[3,2-g]isoquinolin-2-ium ethanoate Openeye Name: 2,5,12-trimethyl-[1,4]benzodioxino[3,2-g]isoquinolin-2-ium acetate CAS Name: 2,5,12-trimethyl-[1,4]benzodioxino[3,2-g]isoquinolin-2-ium acetate IUPAC Name: 2,5,12-trimethyl-[1,4]benzodioxino[3,2-g]isoquinolin-2-ium acetate Traditional Name: 2,5,12-trimethyl-[1,4]benzodioxin[3,2-g]isoquinolin-2-ium acetate Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)C)C)OC4=CC=CC=C4O2.CC(=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)C)C)OC4=CC=CC=C4O2.CC(=O)[O-]

InChI

InChI=1S/C18H16NO2.C2H4O2/c1-11-13-8-9-19(3)10-14(13)12(2)18-17(11)20-15-6-4-5-7-16(15)21-18;1-2(3)4/h4-10H,1-3H3;1H3,(H,3,4)/q+1;/p-1