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

Systemtic Name: (9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl pentanoate iodide Openeye Name: (9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl pentanoate iodide CAS Name: pentanoic 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 pentanoate iodide Traditional Name: valeric acid (9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl ester iodide Formula: C24H27IN2O3 MolecularWeight: 518.38725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC[N+]1=CC2=C(C=C1)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)OC)C.[I-]

Isomeric SMILES

CCCCC(=O)OC[N+]1=CC2=C(C=C1)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)OC)C.[I-]

InChI

InChI=1S/C24H26N2O3.HI/c1-5-6-7-22(27)29-14-26-11-10-18-16(3)24-23(15(2)20(18)13-26)19-12-17(28-4)8-9-21(19)25-24;/h8-13H,5-7,14H2,1-4H3;1H