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

Systemtic Name: N-(2,4-dinitrophenyl)isoquinolin-2-ium-2-amine sulfate Openeye Name: N-(2,4-dinitrophenyl)isoquinolin-2-ium-2-amine sulfate CAS Name: N-(2,4-dinitrophenyl)-2-isoquinolin-2-iumamine sulfate IUPAC Name: N-(2,4-dinitrophenyl)isoquinolin-2-ium-2-amine sulfate Traditional Name: (2,4-dinitrophenyl)-isoquinolin-2-ium-2-yl-amine sulfate Formula: C15H11N4O8S- MolecularWeight: 407.33484

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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-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H11N4O4.H2O4S/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;1-5(2,3)4/h1-10,16H;(H2,1,2,3,4)/q+1;/p-2