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

Systemtic Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl pentanoate iodide Openeye Name: (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl pentanoate iodide CAS Name: pentanoic 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 pentanoate iodide Traditional Name: valeric acid (5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl ester iodide Formula: C23H25IN2O2 MolecularWeight: 488.36127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2.HI/c1-4-5-10-21(26)27-14-25-12-11-17-16(3)23-22(15(2)19(17)13-25)18-8-6-7-9-20(18)24-23;/h6-9,11-13H,4-5,10,14H2,1-3H3;1H