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

Systemtic Name: 6-hexyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Openeye Name: 6-hexyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide CAS Name: 6-hexyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide IUPAC Name: 6-hexyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Traditional Name: 6-hexyl-4-methoxy-[1,3]dioxol[4,5-g]isoquinolin-6-ium bromide Formula: C17H22BrNO3 MolecularWeight: 368.26548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22NO3.BrH/c1-3-4-5-6-8-18-9-7-13-10-15-17(21-12-20-15)16(19-2)14(13)11-18;/h7,9-11H,3-6,8,12H2,1-2H3;1H/q+1;/p-1