N-(4-nitrophenyl)isoquinolin-2-ium-2-amine chloride

Systemtic Name: N-(4-nitrophenyl)isoquinolin-2-ium-2-amine chloride Openeye Name: N-(4-nitrophenyl)isoquinolin-2-ium-2-amine chloride CAS Name: N-(4-nitrophenyl)-2-isoquinolin-2-iumamine chloride IUPAC Name: N-(4-nitrophenyl)isoquinolin-2-ium-2-amine chloride Traditional Name: isoquinolin-2-ium-2-yl-(4-nitrophenyl)amine chloride Formula: C15H12ClN3O2 MolecularWeight: 301.72768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)NC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)NC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C15H12N3O2.ClH/c19-18(20)15-7-5-14(6-8-15)16-17-10-9-12-3-1-2-4-13(12)11-17;/h1-11,16H;1H/q+1;/p-1