6-ethyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide

Systemtic Name: 6-ethyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Openeye Name: 6-ethyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide CAS Name: 6-ethyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide IUPAC Name: 6-ethyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Traditional Name: 6-ethyl-4-methoxy-[1,3]dioxol[4,5-g]isoquinolin-6-ium bromide Formula: C13H14BrNO3 MolecularWeight: 312.15916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC2=C(C3=C(C=C2C=C1)OCO3)OC.[Br-]

Isomeric SMILES

CC[N+]1=CC2=C(C3=C(C=C2C=C1)OCO3)OC.[Br-]

InChI

InChI=1S/C13H14NO3.BrH/c1-3-14-5-4-9-6-11-13(17-8-16-11)12(15-2)10(9)7-14;/h4-7H,3,8H2,1-2H3;1H/q+1;/p-1