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

Systemtic Name: 6-butyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Openeye Name: 6-butyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide CAS Name: 6-butyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide IUPAC Name: 6-butyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Traditional Name: 6-butyl-4-methoxy-[1,3]dioxol[4,5-g]isoquinolin-6-ium bromide Formula: C15H18BrNO3 MolecularWeight: 340.21232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18NO3.BrH/c1-3-4-6-16-7-5-11-8-13-15(19-10-18-13)14(17-2)12(11)9-16;/h5,7-9H,3-4,6,10H2,1-2H3;1H/q+1;/p-1