7-methoxy-2-[(5-nitrofuran-2-yl)methyl]isoquinolin-2-ium-6-ol

Systemtic Name: 7-methoxy-2-[(5-nitrofuran-2-yl)methyl]isoquinolin-2-ium-6-ol Openeye Name: 7-methoxy-2-[(5-nitro-2-furyl)methyl]isoquinolin-2-ium-6-ol CAS Name: 7-methoxy-2-[(5-nitro-2-furanyl)methyl]-6-isoquinolin-2-iumol IUPAC Name: 7-methoxy-2-[(5-nitrofuran-2-yl)methyl]isoquinolin-2-ium-6-ol Traditional Name: 7-methoxy-2-[(5-nitro-2-furyl)methyl]isoquinolin-2-ium-6-ol Formula: C15H13N2O5+ MolecularWeight: 301.27412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C[N+](=CC2=C1)CC3=CC=C(O3)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=C2C=C[N+](=CC2=C1)CC3=CC=C(O3)[N+](=O)[O-])O

InChI

InChI=1S/C15H12N2O5/c1-21-14-7-11-8-16(5-4-10(11)6-13(14)18)9-12-2-3-15(22-12)17(19)20/h2-8H,9H2,1H3/p+1