2,5,11-trimethyl-[1]benzofuro[2,3-g]isoquinolin-2-ium ethanoate

Systemtic Name: 2,5,11-trimethyl-[1]benzofuro[2,3-g]isoquinolin-2-ium ethanoate Openeye Name: 2,5,11-trimethylbenzofuro[2,3-g]isoquinolin-2-ium acetate CAS Name: 2,5,11-trimethylbenzofuro[2,3-g]isoquinolin-2-ium acetate IUPAC Name: 2,5,11-trimethyl-[1]benzofuro[2,3-g]isoquinolin-2-ium acetate Traditional Name: 2,5,11-trimethylbenzofur[2,3-g]isoquinolin-2-ium acetate Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)C)C)C4=CC=CC=C4O2.CC(=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)C)C)C4=CC=CC=C4O2.CC(=O)[O-]

InChI

InChI=1S/C18H16NO.C2H4O2/c1-11-15-10-19(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)20-18;1-2(3)4/h4-10H,1-3H3;1H3,(H,3,4)/q+1;/p-1