1-[(4-nitrophenyl)methyl]isoquinolin-2-ium chloride

Systemtic Name: 1-[(4-nitrophenyl)methyl]isoquinolin-2-ium chloride Openeye Name: 1-[(4-nitrophenyl)methyl]isoquinolin-2-ium chloride CAS Name: 1-[(4-nitrophenyl)methyl]isoquinolin-2-ium chloride IUPAC Name: 1-[(4-nitrophenyl)methyl]isoquinolin-2-ium chloride Traditional Name: 1-(4-nitrobenzyl)isoquinolin-2-ium chloride Formula: C16H13ClN2O2 MolecularWeight: 300.73962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C[NH+]=C2CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C[NH+]=C2CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C16H12N2O2.ClH/c19-18(20)14-7-5-12(6-8-14)11-16-15-4-2-1-3-13(15)9-10-17-16;/h1-10H,11H2;1H