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

Systemtic Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl hexanoate iodide Openeye Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl hexanoate iodide CAS Name: hexanoic 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 hexanoate iodide Traditional Name: hexanoic acid (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl ester iodide Formula: C24H27IN2O2 MolecularWeight: 502.38785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2.HI/c1-4-5-6-11-22(27)28-15-26-13-12-18-17(3)24-23(16(2)20(18)14-26)19-9-7-8-10-21(19)25-24;/h7-10,12-14H,4-6,11,15H2,1-3H3;1H