6,7-dimethoxy-2-[(5-nitrofuran-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[(5-nitrofuran-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(5-nitro-2-furyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(5-nitro-2-furanyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(5-nitrofuran-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[(5-nitro-2-furyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H19N2O5+ MolecularWeight: 319.33246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(O3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(O3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N2O5/c1-21-14-7-11-5-6-17(9-12(11)8-15(14)22-2)10-13-3-4-16(23-13)18(19)20/h3-4,7-8H,5-6,9-10H2,1-2H3/p+1