2-[(5-nitrofuran-2-yl)methyl]isoquinolin-2-ium

Systemtic Name: 2-[(5-nitrofuran-2-yl)methyl]isoquinolin-2-ium Openeye Name: 2-[(5-nitro-2-furyl)methyl]isoquinolin-2-ium CAS Name: 2-[(5-nitro-2-furanyl)methyl]isoquinolin-2-ium IUPAC Name: 2-[(5-nitrofuran-2-yl)methyl]isoquinolin-2-ium Traditional Name: 2-[(5-nitro-2-furyl)methyl]isoquinolin-2-ium Formula: C14H11N2O3+ MolecularWeight: 255.24874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N2O3/c17-16(18)14-6-5-13(19-14)10-15-8-7-11-3-1-2-4-12(11)9-15/h1-9H,10H2/q+1