2-(2,4-dinitrophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: 2-(2,4-dinitrophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium chloride Openeye Name: 2-(2,4-dinitrophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium chloride CAS Name: 2-(2,4-dinitrophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 2-(2,4-dinitrophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium chloride Traditional Name: 2-(2,4-dinitrophenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium chloride Formula: C15H14ClN3O4 MolecularWeight: 335.74236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C15H14N3O4.ClH/c19-17(20)13-5-6-14(15(9-13)18(21)22)16-8-7-11-3-1-2-4-12(11)10-16;/h5-10H,1-4H2;1H/q+1;/p-1