4-methoxy-6-(3-methylbutyl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide

Systemtic Name: 4-methoxy-6-(3-methylbutyl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Openeye Name: 6-isopentyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide CAS Name: 4-methoxy-6-(3-methylbutyl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide IUPAC Name: 4-methoxy-6-(3-methylbutyl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide Traditional Name: 6-isoamyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20NO3.BrH/c1-11(2)4-6-17-7-5-12-8-14-16(20-10-19-14)15(18-3)13(12)9-17;/h5,7-9,11H,4,6,10H2,1-3H3;1H/q+1;/p-1