7-nitro-2-propyl-isoquinolin-2-ium

Systemtic Name: 7-nitro-2-propyl-isoquinolin-2-ium Openeye Name: 7-nitro-2-propyl-isoquinolin-2-ium CAS Name: 7-nitro-2-propylisoquinolin-2-ium IUPAC Name: 7-nitro-2-propylisoquinolin-2-ium Traditional Name: 7-nitro-2-propyl-isoquinolin-2-ium Formula: C12H13N2O2+ MolecularWeight: 217.24382

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC2=C(C=CC(=C2)[N+](=O)[O-])C=C1

Isomeric SMILES

CCC[N+]1=CC2=C(C=CC(=C2)[N+](=O)[O-])C=C1

InChI

InChI=1S/C12H13N2O2/c1-2-6-13-7-5-10-3-4-12(14(15)16)8-11(10)9-13/h3-5,7-9H,2,6H2,1H3/q+1