N-(2,4-dinitrophenyl)isoquinolin-2-ium-2-amine chloride

Systemtic Name: N-(2,4-dinitrophenyl)isoquinolin-2-ium-2-amine chloride Openeye Name: N-(2,4-dinitrophenyl)isoquinolin-2-ium-2-amine chloride CAS Name: N-(2,4-dinitrophenyl)-2-isoquinolin-2-iumamine chloride IUPAC Name: N-(2,4-dinitrophenyl)isoquinolin-2-ium-2-amine chloride Traditional Name: (2,4-dinitrophenyl)-isoquinolin-2-ium-2-yl-amine chloride Formula: C15H11ClN4O4 MolecularWeight: 346.72524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N4O4.ClH/c20-18(21)13-5-6-14(15(9-13)19(22)23)16-17-8-7-11-3-1-2-4-12(11)10-17;/h1-10,16H;1H/q+1;/p-1