6,7-dimethoxy-1-phenyl-2-prop-2-enyl-3,4-dihydroisoquinolin-2-ium bromide

Systemtic Name: 6,7-dimethoxy-1-phenyl-2-prop-2-enyl-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 2-allyl-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 6,7-dimethoxy-1-phenyl-2-prop-2-enyl-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 6,7-dimethoxy-1-phenyl-2-prop-2-enyl-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 2-allyl-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Formula: C20H22BrNO2 MolecularWeight: 388.29818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+](=C2C3=CC=CC=C3)CC=C)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+](=C2C3=CC=CC=C3)CC=C)OC.[Br-]

InChI

InChI=1S/C20H22NO2.BrH/c1-4-11-21-12-10-16-13-18(22-2)19(23-3)14-17(16)20(21)15-8-6-5-7-9-15;/h4-9,13-14H,1,10-12H2,2-3H3;1H/q+1;/p-1