ethyl 2,5-dimethyl-1-(4-nitrophenyl)pyrido[3,2-b]indol-1-ium-3-carboxylate iodide

Systemtic Name: ethyl 2,5-dimethyl-1-(4-nitrophenyl)pyrido[3,2-b]indol-1-ium-3-carboxylate iodide Openeye Name: ethyl 2,5-dimethyl-1-(4-nitrophenyl)pyrido[3,2-b]indol-1-ium-3-carboxylate iodide CAS Name: 2,5-dimethyl-1-(4-nitrophenyl)-3-pyrido[3,2-b]indol-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 2,5-dimethyl-1-(4-nitrophenyl)pyrido[3,2-b]indol-1-ium-3-carboxylate iodide Traditional Name: 2,5-dimethyl-1-(4-nitrophenyl)pyrid[3,2-b]indol-1-ium-3-carboxylic acid ethyl ester iodide Formula: C22H20IN3O4 MolecularWeight: 517.31637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C3=CC=CC=C3N2C)[N+](=C1C)C4=CC=C(C=C4)[N+](=O)[O-].[I-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C3=CC=CC=C3N2C)[N+](=C1C)C4=CC=C(C=C4)[N+](=O)[O-].[I-]

InChI

InChI=1S/C22H20N3O4.HI/c1-4-29-22(26)18-13-20-21(17-7-5-6-8-19(17)23(20)3)24(14(18)2)15-9-11-16(12-10-15)25(27)28;/h5-13H,4H2,1-3H3;1H/q+1;/p-1