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

Systemtic Name: 4-methoxy-6-propyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Openeye Name: 4-methoxy-6-propyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide CAS Name: 4-methoxy-6-propyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide IUPAC Name: 4-methoxy-6-propyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Traditional Name: 4-methoxy-6-propyl-[1,3]dioxol[4,5-g]isoquinolin-6-ium bromide Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16NO3.BrH/c1-3-5-15-6-4-10-7-12-14(18-9-17-12)13(16-2)11(10)8-15;/h4,6-8H,3,5,9H2,1-2H3;1H/q+1;/p-1