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

Systemtic Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl butanoate iodide Openeye Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl butanoate iodide CAS Name: butanoic 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 butanoate iodide Traditional Name: butyric acid (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl ester iodide Formula: C22H23IN2O2 MolecularWeight: 474.33469

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC[N+]1=CC2=C(C=C1)C(=C3C(=C2C)C4=CC=CC=C4N3)C.[I-]

Isomeric SMILES

CCCC(=O)OC[N+]1=CC2=C(C=C1)C(=C3C(=C2C)C4=CC=CC=C4N3)C.[I-]

InChI

InChI=1S/C22H22N2O2.HI/c1-4-7-20(25)26-13-24-11-10-16-15(3)22-21(14(2)18(16)12-24)17-8-5-6-9-19(17)23-22;/h5-6,8-12H,4,7,13H2,1-3H3;1H