2-(1,6-dimethylquinolin-1-ium-3-yl)-6-methyl-5-nitro-quinoline iodide

Systemtic Name: 2-(1,6-dimethylquinolin-1-ium-3-yl)-6-methyl-5-nitro-quinoline iodide Openeye Name: 2-(1,6-dimethylquinolin-1-ium-3-yl)-6-methyl-5-nitro-quinoline iodide CAS Name: 2-(1,6-dimethyl-3-quinolin-1-iumyl)-6-methyl-5-nitroquinoline iodide IUPAC Name: 2-(1,6-dimethylquinolin-1-ium-3-yl)-6-methyl-5-nitroquinoline iodide Traditional Name: 2-(1,6-dimethylquinolin-1-ium-3-yl)-6-methyl-5-nitro-quinoline iodide Formula: C21H18IN3O2 MolecularWeight: 471.29099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C[N+](=C2C=C1)C)C3=NC4=C(C=C3)C(=C(C=C4)C)[N+](=O)[O-].[I-]

Isomeric SMILES

CC1=CC2=CC(=C[N+](=C2C=C1)C)C3=NC4=C(C=C3)C(=C(C=C4)C)[N+](=O)[O-].[I-]

InChI

InChI=1S/C21H18N3O2.HI/c1-13-4-9-20-15(10-13)11-16(12-23(20)3)18-8-6-17-19(22-18)7-5-14(2)21(17)24(25)26;/h4-12H,1-3H3;1H/q+1;/p-1