(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl benzoate iodide

Systemtic Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl benzoate iodide Openeye Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl benzoate iodide CAS Name: benzoic acid (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl ester iodide IUPAC Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl benzoate iodide Traditional Name: benzoic acid (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl ester iodide Formula: C25H21IN2O2 MolecularWeight: 508.35091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)COC(=O)C4=CC=CC=C4)C)C5=CC=CC=C5N2.[I-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)COC(=O)C4=CC=CC=C4)C)C5=CC=CC=C5N2.[I-]

InChI

InChI=1S/C25H20N2O2.HI/c1-16-21-14-27(15-29-25(28)18-8-4-3-5-9-18)13-12-19(21)17(2)24-23(16)20-10-6-7-11-22(20)26-24;/h3-14H,15H2,1-2H3;1H