1-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 1-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium Openeye Name: 1-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium CAS Name: 1-[5-(2-chloro-4-nitrophenyl)-2-furanyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium Traditional Name: 1-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium Formula: C21H18ClN2O5+ MolecularWeight: 413.83102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[NH+]=C2C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[NH+]=C2C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C21H17ClN2O5/c1-27-19-9-12-7-8-23-21(15(12)11-20(19)28-2)18-6-5-17(29-18)14-4-3-13(24(25)26)10-16(14)22/h3-6,9-11H,7-8H2,1-2H3/p+1