5-nitro-2-propyl-isoquinolin-2-ium

Systemtic Name: 5-nitro-2-propyl-isoquinolin-2-ium Openeye Name: 5-nitro-2-propyl-isoquinolin-2-ium CAS Name: 5-nitro-2-propylisoquinolin-2-ium IUPAC Name: 5-nitro-2-propylisoquinolin-2-ium Traditional Name: 5-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=C1)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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