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

Systemtic Name: (9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl benzoate iodide Openeye Name: (9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl benzoate iodide CAS Name: benzoic acid (9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl ester iodide IUPAC Name: (9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl benzoate iodide Traditional Name: benzoic acid (9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl ester iodide Formula: C26H23IN2O3 MolecularWeight: 538.37689

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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=C(N2)C=CC(=C5)OC.[I-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)COC(=O)C4=CC=CC=C4)C)C5=C(N2)C=CC(=C5)OC.[I-]

InChI

InChI=1S/C26H22N2O3.HI/c1-16-22-14-28(15-31-26(29)18-7-5-4-6-8-18)12-11-20(22)17(2)25-24(16)21-13-19(30-3)9-10-23(21)27-25;/h4-14H,15H2,1-3H3;1H