1-(5-chloranyl-2-nitro-phenyl)-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-2-ium bromide

Systemtic Name: 1-(5-chloranyl-2-nitro-phenyl)-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 2-allyl-1-(5-chloro-2-nitro-phenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 1-(5-chloro-2-nitrophenyl)-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 1-(5-chloro-2-nitrophenyl)-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 2-allyl-1-(5-chloro-2-nitro-phenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Formula: C20H20BrClN2O4 MolecularWeight: 467.7408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN2O4.BrH/c1-4-8-22-9-7-13-10-18(26-2)19(27-3)12-15(13)20(22)16-11-14(21)5-6-17(16)23(24)25;/h4-6,10-12H,1,7-9H2,2-3H3;1H/q+1;/p-1