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

Systemtic Name: 4-methoxy-6-pentyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Openeye Name: 4-methoxy-6-pentyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide CAS Name: 4-methoxy-6-pentyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide IUPAC Name: 4-methoxy-6-pentyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Traditional Name: 6-amyl-4-methoxy-[1,3]dioxol[4,5-g]isoquinolin-6-ium bromide Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20NO3.BrH/c1-3-4-5-7-17-8-6-12-9-14-16(20-11-19-14)15(18-2)13(12)10-17;/h6,8-10H,3-5,7,11H2,1-2H3;1H/q+1;/p-1